azepan-1-yl-[3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazol-5-yl]methanone

Systemtic Name: azepan-1-yl-[3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazol-5-yl]methanone Openeye Name: azepan-1-yl-[3-methyl-1-(p-tolylmethyl)thieno[2,3-c]pyrazol-5-yl]methanone CAS Name: 1-azepanyl-[3-methyl-1-[(4-methylphenyl)methyl]-5-thieno[2,3-c]pyrazolyl]methanone IUPAC Name: azepan-1-yl-[3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazol-5-yl]methanone Traditional Name: azepan-1-yl-[3-methyl-1-(4-methylbenzyl)thieno[2,3-c]pyrazol-5-yl]methanone Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)N4CCCCCC4)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)N4CCCCCC4)C(=N2)C

InChI

InChI=1S/C21H25N3OS/c1-15-7-9-17(10-8-15)14-24-21-18(16(2)22-24)13-19(26-21)20(25)23-11-5-3-4-6-12-23/h7-10,13H,3-6,11-12,14H2,1-2H3