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

Systemtic Name: 1-[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]-7-phenyl-1,4-diazepan-5-one Openeye Name: 1-[(E)-3-(4-isobutoxy-3-methoxy-phenyl)prop-2-enoyl]-7-phenyl-1,4-diazepan-5-one CAS Name: 1-[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-oxoprop-2-enyl]-7-phenyl-1,4-diazepan-5-one IUPAC Name: 1-[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]-7-phenyl-1,4-diazepan-5-one Traditional Name: 1-[(E)-3-(4-isobutoxy-3-methoxy-phenyl)acryloyl]-7-phenyl-1,4-diazepan-5-one Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C=CC(=O)N2CCNC(=O)CC2C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)/C=C/C(=O)N2CCNC(=O)CC2C3=CC=CC=C3)OC

InChI

InChI=1S/C25H30N2O4/c1-18(2)17-31-22-11-9-19(15-23(22)30-3)10-12-25(29)27-14-13-26-24(28)16-21(27)20-7-5-4-6-8-20/h4-12,15,18,21H,13-14,16-17H2,1-3H3,(H,26,28)/b12-10+