N-[3-(azepan-1-yl)propyl]-3-(3-methoxyphenyl)-1-methyl-thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-3-(3-methoxyphenyl)-1-methyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-3-(3-methoxyphenyl)-1-methyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-3-(3-methoxyphenyl)-1-methyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-3-(3-methoxyphenyl)-1-methylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-3-(3-methoxyphenyl)-1-methyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(S2)C(=O)NCCCN3CCCCCC3)C(=N1)C4=CC(=CC=C4)OC

Isomeric SMILES

CN1C2=C(C=C(S2)C(=O)NCCCN3CCCCCC3)C(=N1)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H30N4O2S/c1-26-23-19(21(25-26)17-9-7-10-18(15-17)29-2)16-20(30-23)22(28)24-11-8-14-27-12-5-3-4-6-13-27/h7,9-10,15-16H,3-6,8,11-14H2,1-2H3,(H,24,28)