7-phenyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonyl-1,4-diazepan-5-one

Systemtic Name: 7-phenyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonyl-1,4-diazepan-5-one Openeye Name: 7-phenyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-1,4-diazepan-5-one CAS Name: 1-[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]-7-phenyl-1,4-diazepan-5-one IUPAC Name: 7-phenyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-1,4-diazepan-5-one Traditional Name: 7-phenyl-1-[1-[(E)-3-phenylacryloyl]isonipecotoyl]-1,4-diazepan-5-one Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCNC(=O)CC2C3=CC=CC=C3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCNC(=O)CC2C3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c30-24-19-23(21-9-5-2-6-10-21)29(18-15-27-24)26(32)22-13-16-28(17-14-22)25(31)12-11-20-7-3-1-4-8-20/h1-12,22-23H,13-19H2,(H,27,30)/b12-11+