4-[(E)-3-[[2-[[2,4-bis(chloranyl)-3-[(4-cyclopentyloxy-2-methyl-quinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-prop-1-enyl]-N-methyl-benzamide hydrochloride

Systemtic Name: 4-[(E)-3-[[2-[[2,4-bis(chloranyl)-3-[(4-cyclopentyloxy-2-methyl-quinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-prop-1-enyl]-N-methyl-benzamide hydrochloride Openeye Name: 4-[(E)-3-[[2-[2,4-dichloro-3-[[4-(cyclopentoxy)-2-methyl-8-quinolyl]oxymethyl]-N-methyl-anilino]-2-oxo-ethyl]amino]-3-oxo-prop-1-enyl]-N-methyl-benzamide hydrochloride CAS Name: 4-[(E)-3-[[2-[2,4-dichloro-3-[(4-cyclopentyloxy-2-methyl-8-quinolinyl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide hydrochloride IUPAC Name: 4-[(E)-3-[[2-[2,4-dichloro-3-[(4-cyclopentyloxy-2-methylquinolin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide hydrochloride Traditional Name: 4-[(E)-3-[[2-[2,4-dichloro-3-[[4-(cyclopentoxy)-2-methyl-8-quinolyl]oxymethyl]-N-methyl-anilino]-2-keto-ethyl]amino]-3-keto-prop-1-enyl]-N-methyl-benzamide hydrochloride Formula: C36H37Cl3N4O5 MolecularWeight: 712.06178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)C=CC4=CC=C(C=C4)C(=O)NC)Cl)C(=C1)OC5CCCC5.Cl

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C/C4=CC=C(C=C4)C(=O)NC)Cl)C(=C1)OC5CCCC5.Cl

InChI

InChI=1S/C36H36Cl2N4O5.ClH/c1-22-19-31(47-25-7-4-5-8-25)26-9-6-10-30(35(26)41-22)46-21-27-28(37)16-17-29(34(27)38)42(3)33(44)20-40-32(43)18-13-23-11-14-24(15-12-23)36(45)39-2;/h6,9-19,25H,4-5,7-8,20-21H2,1-3H3,(H,39,45)(H,40,43);1H/b18-13+;