3-[[4-[6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]amino]-4-[cyclopropylmethyl(propyl)amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[4-[6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]amino]-4-[cyclopropylmethyl(propyl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[cyclopropylmethyl(propyl)amino]-4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-[cyclopropylmethyl(propyl)amino]-4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[cyclopropylmethyl(propyl)amino]-4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)anilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[cyclopropylmethyl(propyl)amino]-4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)anilino]cyclobut-3-ene-1,2-quinone Formula: C27H29Cl2N3O2 MolecularWeight: 498.44406

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C2=C(C(=O)C2=O)NC3=CC=C(C=C3)C4CN(CC5=C(C=C(C=C45)Cl)Cl)C

Isomeric SMILES

CCCN(CC1CC1)C2=C(C(=O)C2=O)NC3=CC=C(C=C3)C4CN(CC5=C(C=C(C=C45)Cl)Cl)C

InChI

InChI=1S/C27H29Cl2N3O2/c1-3-10-32(13-16-4-5-16)25-24(26(33)27(25)34)30-19-8-6-17(7-9-19)21-14-31(2)15-22-20(21)11-18(28)12-23(22)29/h6-9,11-12,16,21,30H,3-5,10,13-15H2,1-2H3