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

Systemtic Name: N-[2-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclopropanecarboxamide Openeye Name: N-[2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclopropanecarboxamide CAS Name: N-[2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclopropanecarboxamide Traditional Name: N-[5-(piperazine-1-carbonyl)-2-(4-veratroyl-1,4-diazepan-1-yl)phenyl]cyclopropanecarboxamide Formula: C29H37N5O5 MolecularWeight: 535.63458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5CC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5CC5)OC

InChI

InChI=1S/C29H37N5O5/c1-38-25-9-7-22(19-26(25)39-2)29(37)33-13-3-12-32(16-17-33)24-8-6-21(28(36)34-14-10-30-11-15-34)18-23(24)31-27(35)20-4-5-20/h6-9,18-20,30H,3-5,10-17H2,1-2H3,(H,31,35)