N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[3-(2-oxoazepan-1-yl)propyl]-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[3-(2-oxoazepan-1-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[3-(2-ketoazepan-1-yl)propyl]-3-(2-thienyl)pyrazole-4-carboxamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c29-22-12-5-2-6-14-27(22)15-8-13-25-24(30)20-18-28(17-19-9-3-1-4-10-19)26-23(20)21-11-7-16-31-21/h1,3-4,7,9-11,16,18H,2,5-6,8,12-15,17H2,(H,25,30)