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

Systemtic Name: [(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-isoquinolin-3-yl-methanone Openeye Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidyl]-(3-isoquinolyl)methanone CAS Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-(3-isoquinolinyl)methanone IUPAC Name: [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-isoquinolin-3-ylmethanone Traditional Name: [(3S)-3-(3,4-dimethylanilino)piperidino]-(3-isoquinolyl)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=CC4=CC=CC=C4C=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)C3=CC4=CC=CC=C4C=N3)C

InChI

InChI=1S/C23H25N3O/c1-16-9-10-20(12-17(16)2)25-21-8-5-11-26(15-21)23(27)22-13-18-6-3-4-7-19(18)14-24-22/h3-4,6-7,9-10,12-14,21,25H,5,8,11,15H2,1-2H3/t21-/m0/s1