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

Systemtic Name: 3-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]-4-[(3-phenoxyphenyl)methyl]piperazin-2-one Openeye Name: 3-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-ethyl]-4-[(3-phenoxyphenyl)methyl]piperazin-2-one CAS Name: 3-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(3-phenoxyphenyl)methyl]-2-piperazinone IUPAC Name: 3-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(3-phenoxyphenyl)methyl]piperazin-2-one Traditional Name: 3-[2-keto-2-(4-methyl-1,4-diazepan-1-yl)ethyl]-4-(3-phenoxybenzyl)piperazin-2-one Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)CC2C(=O)NCCN2CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1CCCN(CC1)C(=O)CC2C(=O)NCCN2CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O3/c1-27-12-6-13-28(16-15-27)24(30)18-23-25(31)26-11-14-29(23)19-20-7-5-10-22(17-20)32-21-8-3-2-4-9-21/h2-5,7-10,17,23H,6,11-16,18-19H2,1H3,(H,26,31)