N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

Systemtic Name: N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide Openeye Name: N-[1-(p-tolylmethyl)pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide CAS Name: N-[1-[(4-methylphenyl)methyl]-4-pyrazolyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide IUPAC Name: N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide Traditional Name: N-[1-(4-methylbenzyl)pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C=N2)NC(=O)C3=CC4=C(CNCC4)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C=N2)NC(=O)C3=CC4=C(CNCC4)C=C3

InChI

InChI=1S/C21H22N4O/c1-15-2-4-16(5-3-15)13-25-14-20(12-23-25)24-21(26)18-6-7-19-11-22-9-8-17(19)10-18/h2-7,10,12,14,22H,8-9,11,13H2,1H3,(H,24,26)