N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]cyclopropanecarboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-m-anisoylpiperazino)phenyl]cyclopropanecarboxamide Formula: C28H35N5O4 MolecularWeight: 505.6086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5CC5

InChI

InChI=1S/C28H35N5O4/c1-37-23-5-2-4-21(18-23)27(35)33-16-14-31(15-17-33)25-9-8-22(19-24(25)30-26(34)20-6-7-20)28(36)32-12-3-10-29-11-13-32/h2,4-5,8-9,18-20,29H,3,6-7,10-17H2,1H3,(H,30,34)