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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O/c1-19-8-10-20(11-9-19)28-23(27-15-6-7-16-27)21(18-25-28)22(29)24-12-17-26-13-4-2-3-5-14-26/h6-11,15-16,18H,2-5,12-14,17H2,1H3,(H,24,29)