(2S)-2-[(3,4-dimethylphenyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-[(3,4-dimethylphenyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-(3,4-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-(3,4-dimethylanilino)-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-(3,4-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-(3,4-dimethylanilino)-1-(4-phenylpiperazino)propan-1-one Formula: C21H27N3O MolecularWeight: 337.45858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O/c1-16-9-10-19(15-17(16)2)22-18(3)21(25)24-13-11-23(12-14-24)20-7-5-4-6-8-20/h4-10,15,18,22H,11-14H2,1-3H3/t18-/m0/s1