N-[3-(azepan-1-yl)propyl]-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C24H31N5O MolecularWeight: 405.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCN3CCCCCC3)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCN3CCCCCC3)N4C=CC=C4

InChI

InChI=1S/C24H31N5O/c1-20-9-11-21(12-10-20)29-24(28-17-6-7-18-28)22(19-26-29)23(30)25-13-8-16-27-14-4-2-3-5-15-27/h6-7,9-12,17-19H,2-5,8,13-16H2,1H3,(H,25,30)