1-[(E)-2-methyl-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-dione

Systemtic Name: 1-[(E)-2-methyl-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-dione Openeye Name: 1-[(E)-2-methyl-4-[4-(4-pyridylmethyl)piperazin-1-yl]but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-dione CAS Name: 1-[(E)-2-methyl-4-[4-(pyridin-4-ylmethyl)-1-piperazinyl]but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-dione IUPAC Name: 1-[(E)-2-methyl-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-dione Traditional Name: 1-[(E)-2-methyl-4-[4-(4-pyridylmethyl)piperazino]but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-quinone Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1CCN(CC1)CC2=CC=NC=C2)CN3C(=O)CCC(=O)C4=CC=CC=C43

Isomeric SMILES

C/C(=C\CN1CCN(CC1)CC2=CC=NC=C2)/CN3C(=O)CCC(=O)C4=CC=CC=C43

InChI

InChI=1S/C25H30N4O2/c1-20(18-29-23-5-3-2-4-22(23)24(30)6-7-25(29)31)10-13-27-14-16-28(17-15-27)19-21-8-11-26-12-9-21/h2-5,8-12H,6-7,13-19H2,1H3/b20-10+