4,6-dimethyl-5-[(3S)-3-[methyl-(phenylmethyl)amino]piperidin-1-yl]carbonyl-pyran-2-one

Systemtic Name: 4,6-dimethyl-5-[(3S)-3-[methyl-(phenylmethyl)amino]piperidin-1-yl]carbonyl-pyran-2-one Openeye Name: 5-[(3S)-3-[benzyl(methyl)amino]piperidine-1-carbonyl]-4,6-dimethyl-pyran-2-one CAS Name: 4,6-dimethyl-5-[[(3S)-3-[methyl-(phenylmethyl)amino]-1-piperidinyl]-oxomethyl]-2-pyranone IUPAC Name: 5-[(3S)-3-[benzyl(methyl)amino]piperidine-1-carbonyl]-4,6-dimethylpyran-2-one Traditional Name: 5-[(3S)-3-[benzyl(methyl)amino]piperidine-1-carbonyl]-4,6-dimethyl-pyran-2-one Formula: C21H26N2O3 MolecularWeight: 354.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC(=C1C(=O)N2CCCC(C2)N(C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=O)OC(=C1C(=O)N2CCC[C@@H](C2)N(C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O3/c1-15-12-19(24)26-16(2)20(15)21(25)23-11-7-10-18(14-23)22(3)13-17-8-5-4-6-9-17/h4-6,8-9,12,18H,7,10-11,13-14H2,1-3H3/t18-/m0/s1