[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-quinolin-2-yl-methanone

Systemtic Name: [(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-quinolin-2-yl-methanone Openeye Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidyl]-(2-quinolyl)methanone CAS Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-(2-quinolinyl)methanone IUPAC Name: [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-quinolin-2-ylmethanone Traditional Name: [(3S)-3-(3,4-dimethylanilino)piperidino]-(2-quinolyl)methanone Formula: C23H25N3O MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)C3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C23H25N3O/c1-16-9-11-19(14-17(16)2)24-20-7-5-13-26(15-20)23(27)22-12-10-18-6-3-4-8-21(18)25-22/h3-4,6,8-12,14,20,24H,5,7,13,15H2,1-2H3/t20-/m0/s1