3-methoxy-N-methyl-N-(4-methyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)-4-[(5-methyl-2-phenylmethoxy-phenyl)carbonylamino]-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexyl]benzamide

Systemtic Name: 3-methoxy-N-methyl-N-(4-methyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)-4-[(5-methyl-2-phenylmethoxy-phenyl)carbonylamino]-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexyl]benzamide Openeye Name: 4-[(2-benzyloxy-5-methyl-benzoyl)amino]-3-methoxy-N-methyl-N-(4-methyl-6-oxo-cyclohexa-1,3-dien-1-yl)-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexyl]benzamide CAS Name: 3-methoxy-N-methyl-N-(4-methyl-6-oxo-1-cyclohexa-1,3-dienyl)-4-[[(5-methyl-2-phenylmethoxyphenyl)-oxomethyl]amino]-2-[6-(4-methyl-1-piperazinyl)-6-oxohexyl]benzamide IUPAC Name: 3-methoxy-N-methyl-N-(4-methyl-6-oxocyclohexa-1,3-dien-1-yl)-4-[(5-methyl-2-phenylmethoxybenzoyl)amino]-2-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]benzamide Traditional Name: 4-[(2-benzoxy-5-methyl-benzoyl)amino]-N-(6-keto-4-methyl-cyclohexa-1,3-dien-1-yl)-2-[6-keto-6-(4-methylpiperazino)hexyl]-3-methoxy-N-methyl-benzamide Formula: C42H50N4O6 MolecularWeight: 706.8696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)C1)N(C)C(=O)C2=C(C(=C(C=C2)NC(=O)C3=C(C=CC(=C3)C)OCC4=CC=CC=C4)OC)CCCCCC(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=CC=C(C(=O)C1)N(C)C(=O)C2=C(C(=C(C=C2)NC(=O)C3=C(C=CC(=C3)C)OCC4=CC=CC=C4)OC)CCCCCC(=O)N5CCN(CC5)C

InChI

InChI=1S/C42H50N4O6/c1-29-17-21-38(52-28-31-12-8-6-9-13-31)34(26-29)41(49)43-35-19-18-33(42(50)45(4)36-20-16-30(2)27-37(36)47)32(40(35)51-5)14-10-7-11-15-39(48)46-24-22-44(3)23-25-46/h6,8-9,12-13,16-21,26H,7,10-11,14-15,22-25,27-28H2,1-5H3,(H,43,49)