(3S)-N-tert-butyl-2-[3-(1H-pyrazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-tert-butyl-2-[3-(1H-pyrazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-tert-butyl-2-[3-(1H-pyrazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-tert-butyl-2-[1-oxo-3-(1H-pyrazol-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-tert-butyl-2-[3-(1H-pyrazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-tert-butyl-2-[3-(1H-pyrazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)CCC3=CNN=C3

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)CCC3=CNN=C3

InChI

InChI=1S/C20H26N4O2/c1-20(2,3)23-19(26)17-10-15-6-4-5-7-16(15)13-24(17)18(25)9-8-14-11-21-22-12-14/h4-7,11-12,17H,8-10,13H2,1-3H3,(H,21,22)(H,23,26)/t17-/m0/s1