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

Systemtic Name: N-[2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxy-benzamide Formula: C32H43N5O5 MolecularWeight: 577.71432

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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)C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5CCCCC5)OC

InChI

InChI=1S/C32H43N5O5/c1-41-28-12-10-24(22-29(28)42-2)30(38)34-26-21-25(32(40)37-17-13-33-14-18-37)9-11-27(26)35-15-6-16-36(20-19-35)31(39)23-7-4-3-5-8-23/h9-12,21-23,33H,3-8,13-20H2,1-2H3,(H,34,38)