N-[2-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide Traditional Name: 3,4-dimethoxy-N-[5-(piperazine-1-carbonyl)-2-(4-veratroyl-1,4-diazepan-1-yl)phenyl]benzamide Formula: C34H41N5O7 MolecularWeight: 631.71864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC(=C(C=C5)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC(=C(C=C5)OC)OC)OC

InChI

InChI=1S/C34H41N5O7/c1-43-28-10-7-23(21-30(28)45-3)32(40)36-26-20-24(33(41)39-16-12-35-13-17-39)6-9-27(26)37-14-5-15-38(19-18-37)34(42)25-8-11-29(44-2)31(22-25)46-4/h6-11,20-22,35H,5,12-19H2,1-4H3,(H,36,40)