(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester IUPAC Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)ONC3=NCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)ONC3=NCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C19H20N4O2S/c1-13-15-12-16(19(24)25-22-17-10-6-3-7-11-20-17)26-18(15)23(21-13)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,20,22)