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

Systemtic Name: N-[4-[(E)-3-[[2-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-prop-1-enyl]phenyl]benzamide hydrochloride Openeye Name: N-[4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolyl)oxymethyl]anilino]-2-oxo-ethyl]amino]-3-oxo-prop-1-enyl]phenyl]benzamide hydrochloride CAS Name: N-[4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolinyl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]phenyl]benzamide hydrochloride IUPAC Name: N-[4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]phenyl]benzamide hydrochloride Traditional Name: N-[4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolyl)oxymethyl]anilino]-2-keto-ethyl]amino]-3-keto-prop-1-enyl]phenyl]benzamide hydrochloride Formula: C36H31Cl3N4O4 MolecularWeight: 690.01474

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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)NC(=O)C5=CC=CC=C5)Cl)C=C1.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)NC(=O)C5=CC=CC=C5)Cl)C=C1.Cl

InChI

InChI=1S/C36H30Cl2N4O4.ClH/c1-23-11-15-25-9-6-10-31(35(25)40-23)46-22-28-29(37)18-19-30(34(28)38)42(2)33(44)21-39-32(43)20-14-24-12-16-27(17-13-24)41-36(45)26-7-4-3-5-8-26;/h3-20H,21-22H2,1-2H3,(H,39,43)(H,41,45);1H/b20-14+;