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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-phenylacetyl)piperazino]phenyl]cyclopropanecarboxamide Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)NC(=O)C5CC5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)NC(=O)C5CC5

InChI

InChI=1S/C28H35N5O3/c34-26(19-21-5-2-1-3-6-21)32-17-15-31(16-18-32)25-10-9-23(20-24(25)30-27(35)22-7-8-22)28(36)33-13-4-11-29-12-14-33/h1-3,5-6,9-10,20,22,29H,4,7-8,11-19H2,(H,30,35)