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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-3-methyl-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-3-methyl-1-(3-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-3-methyl-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C25H33N5O MolecularWeight: 419.56242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O/c1-20-11-9-12-22(19-20)30-25(29-17-7-8-18-29)23(21(2)27-30)24(31)26-13-10-16-28-14-5-3-4-6-15-28/h7-9,11-12,17-19H,3-6,10,13-16H2,1-2H3,(H,26,31)