3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-2-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-2-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-2-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]-2-piperazinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-4-(4-methoxy-3-methyl-benzyl)piperazin-2-one Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CCNC(=O)C2CC(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CCNC(=O)C2CC(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H31N3O3/c1-16-13-17(7-8-19(16)27-2)15-24-12-9-22-21(26)18(24)14-20(25)23-10-5-3-4-6-11-23/h7-8,13,18H,3-6,9-12,14-15H2,1-2H3,(H,22,26)