N-[2-(1-azanylisoquinolin-8-yl)-5-methyl-pyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide

Systemtic Name: N-[2-(1-azanylisoquinolin-8-yl)-5-methyl-pyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide Openeye Name: N-[2-(1-amino-8-isoquinolyl)-5-methyl-pyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide CAS Name: N-[2-(1-amino-8-isoquinolinyl)-5-methyl-3-pyrazolyl]-4-(2-methylsulfonylphenyl)benzamide IUPAC Name: N-[2-(1-aminoisoquinolin-8-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide Traditional Name: N-[2-(1-amino-8-isoquinolyl)-5-methyl-pyrazol-3-yl]-4-(2-mesylphenyl)benzamide Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C)C4=CC=CC5=C4C(=NC=C5)N

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C)C4=CC=CC5=C4C(=NC=C5)N

InChI

InChI=1S/C27H23N5O3S/c1-17-16-24(32(31-17)22-8-5-6-19-14-15-29-26(28)25(19)22)30-27(33)20-12-10-18(11-13-20)21-7-3-4-9-23(21)36(2,34)35/h3-16H,1-2H3,(H2,28,29)(H,30,33)