(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophen-2-yl]methanone

Systemtic Name: (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophen-2-yl]methanone Openeye Name: (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-2-thienyl]methanone CAS Name: (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[(5-methyl-3-nitro-1-pyrazolyl)methyl]-2-thiophenyl]methanone IUPAC Name: (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[(5-methyl-3-nitropyrazol-1-yl)methyl]thiophen-2-yl]methanone Traditional Name: (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-2-thienyl]methanone Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC(=CS3)CN4C(=CC(=N4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC(=CS3)CN4C(=CC(=N4)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O3S/c1-13-5-6-17-16(8-13)4-3-7-22(17)20(25)18-10-15(12-28-18)11-23-14(2)9-19(21-23)24(26)27/h5-6,8-10,12H,3-4,7,11H2,1-2H3