3-[2-(4-ethanoyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one

Systemtic Name: 3-[2-(4-ethanoyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one Openeye Name: 3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxo-ethyl]-4-(o-tolylmethyl)piperazin-2-one CAS Name: 3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]-2-piperazinone IUPAC Name: 3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one Traditional Name: 3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-keto-ethyl]-4-(2-methylbenzyl)piperazin-2-one Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)N3CCCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)N3CCCN(CC3)C(=O)C

InChI

InChI=1S/C21H30N4O3/c1-16-6-3-4-7-18(16)15-25-11-8-22-21(28)19(25)14-20(27)24-10-5-9-23(12-13-24)17(2)26/h3-4,6-7,19H,5,8-15H2,1-2H3,(H,22,28)