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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5CC5

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5CC5

InChI

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