N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-5-methyl-pyrazol-3-yl]ethanamide

Systemtic Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-5-methyl-pyrazol-3-yl]ethanamide Openeye Name: N-[2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-5-methyl-pyrazol-3-yl]acetamide CAS Name: N-[2-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-5-methyl-3-pyrazolyl]acetamide IUPAC Name: N-[2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-5-methylpyrazol-3-yl]acetamide Traditional Name: N-[2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-5-methyl-pyrazol-3-yl]acetamide Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C)C2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C)C2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22N4O2/c1-15-13-21(23-16(2)27)26(24-15)20-9-7-18(8-10-20)22(28)25-12-11-17-5-3-4-6-19(17)14-25/h3-10,13H,11-12,14H2,1-2H3,(H,23,27)