(3S)-N-tert-butyl-2-(3-methylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-tert-butyl-2-(3-methylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-tert-butyl-2-(3-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-tert-butyl-2-[(3-methylphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-tert-butyl-2-(3-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-tert-butyl-2-m-toluoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC(C)(C)C

InChI

InChI=1S/C22H26N2O2/c1-15-8-7-11-17(12-15)21(26)24-14-18-10-6-5-9-16(18)13-19(24)20(25)23-22(2,3)4/h5-12,19H,13-14H2,1-4H3,(H,23,25)/t19-/m0/s1