7-phenyl-1-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]-1,4-diazepan-5-one

Systemtic Name: 7-phenyl-1-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]-1,4-diazepan-5-one Openeye Name: 7-phenyl-1-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]-1,4-diazepan-5-one CAS Name: 1-[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]-7-phenyl-1,4-diazepan-5-one IUPAC Name: 7-phenyl-1-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]-1,4-diazepan-5-one Traditional Name: 7-phenyl-1-[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]-1,4-diazepan-5-one Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC(=O)N1)C2=CC=CC=C2)C(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(CC(=O)N1)C2=CC=CC=C2)C(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2/c28-22-15-21(19-7-3-1-4-8-19)26(14-13-24-22)23(29)12-11-18-16-25-27(17-18)20-9-5-2-6-10-20/h1-12,16-17,21H,13-15H2,(H,24,28)/b12-11+