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

Systemtic Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone Openeye Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-2-thienyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone CAS Name: [4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-thiophenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone IUPAC Name: [4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone Traditional Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-2-thienyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-13-6-7-18-17(9-13)5-4-8-23(18)21(26)19-10-16(12-29-19)11-24-15(3)20(25(27)28)14(2)22-24/h6-7,9-10,12H,4-5,8,11H2,1-3H3