(3S)-2-(1-methylpyrazol-4-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-2-(1-methylpyrazol-4-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(1-methyl-4-pyrazolyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C15H14N3O3- MolecularWeight: 284.28996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)[O-]

InChI

InChI=1S/C15H15N3O3/c1-17-8-12(7-16-17)14(19)18-9-11-5-3-2-4-10(11)6-13(18)15(20)21/h2-5,7-8,13H,6,9H2,1H3,(H,20,21)/p-1/t13-/m0/s1