3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one

Systemtic Name: 3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one Openeye Name: 3-(p-tolyl)-1-[4-[3-(p-tolyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one CAS Name: 3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)-1-oxoprop-2-enyl]-1,4-diazepan-1-yl]-2-propen-1-one IUPAC Name: 3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one Traditional Name: 3-(p-tolyl)-1-[4-[3-(p-tolyl)acryloyl]-1,4-diazepan-1-yl]prop-2-en-1-one Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)N2CCCN(CC2)C(=O)C=CC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C=CC(=O)N2CCCN(CC2)C(=O)C=CC3=CC=C(C=C3)C

InChI

InChI=1S/C25H28N2O2/c1-20-4-8-22(9-5-20)12-14-24(28)26-16-3-17-27(19-18-26)25(29)15-13-23-10-6-21(2)7-11-23/h4-15H,3,16-19H2,1-2H3