(2S)-2-[(2,5-dimethylphenyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-[(2,5-dimethylphenyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-(2,5-dimethylanilino)-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazino)propan-1-one Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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