N-[2-(azepan-1-yl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O2/c31-26(15-14-22-10-4-3-5-11-22)30-20-16-23(17-21-30)27(32)28-24-12-6-7-13-25(24)29-18-8-1-2-9-19-29/h3-7,10-15,23H,1-2,8-9,16-21H2,(H,28,32)/b15-14+