isoquinolin-1-yl-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]methanone

Systemtic Name: isoquinolin-1-yl-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]methanone Openeye Name: [(3S)-3-(4-isopropylanilino)-1-piperidyl]-(1-isoquinolyl)methanone CAS Name: 1-isoquinolinyl-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]methanone IUPAC Name: isoquinolin-1-yl-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone Traditional Name: [(3S)-3-cumidinopiperidino]-(1-isoquinolyl)methanone Formula: C24H27N3O MolecularWeight: 373.49068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCCN(C2)C(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C24H27N3O/c1-17(2)18-9-11-20(12-10-18)26-21-7-5-15-27(16-21)24(28)23-22-8-4-3-6-19(22)13-14-25-23/h3-4,6,8-14,17,21,26H,5,7,15-16H2,1-2H3/t21-/m0/s1