(3S)-N-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: (3S)-N-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: (3S)-N-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: (3S)-N-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: (3S)-N-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C17H24N2O MolecularWeight: 272.38526

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2CC3=CC=CC=C3CN2

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)[C@@H]2CC3=CC=CC=C3CN2

InChI

InChI=1S/C17H24N2O/c1-12-6-2-5-9-15(12)19-17(20)16-10-13-7-3-4-8-14(13)11-18-16/h3-4,7-8,12,15-16,18H,2,5-6,9-11H2,1H3,(H,19,20)/t12-,15+,16-/m0/s1