3-methyl-1-[4-[1-(phenylmethyl)indol-3-yl]carbonylpiperazin-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[4-[1-(phenylmethyl)indol-3-yl]carbonylpiperazin-1-yl]but-2-en-1-one Openeye Name: 1-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]-3-methyl-but-2-en-1-one CAS Name: 3-methyl-1-[4-[oxo-[1-(phenylmethyl)-3-indolyl]methyl]-1-piperazinyl]-2-buten-1-one IUPAC Name: 1-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[4-(1-benzylindole-3-carbonyl)piperazino]-3-methyl-but-2-en-1-one Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)C(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C

Isomeric SMILES

CC(=CC(=O)N1CCN(CC1)C(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3O2/c1-19(2)16-24(29)26-12-14-27(15-13-26)25(30)22-18-28(17-20-8-4-3-5-9-20)23-11-7-6-10-21(22)23/h3-11,16,18H,12-15,17H2,1-2H3