N-[2-(azepan-1-yl)ethyl]-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-3-methyl-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-3-methyl-1-(3-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-3-methyl-1-(m-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(=CC=C1)N2C(=C(C(=N2)C)C(=O)NCCN3CCCCCC3)N4C=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C(=N2)C)C(=O)NCCN3CCCCCC3)N4C=CC=C4

InChI

InChI=1S/C24H31N5O/c1-19-10-9-11-21(18-19)29-24(28-15-7-8-16-28)22(20(2)26-29)23(30)25-12-17-27-13-5-3-4-6-14-27/h7-11,15-16,18H,3-6,12-14,17H2,1-2H3,(H,25,30)