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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCCN2CCCCCC2)N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCCN2CCCCCC2)N3C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N5O/c1-20-22(23(30)25-14-11-17-27-15-7-2-3-8-16-27)24(28-18-9-10-19-28)29(26-20)21-12-5-4-6-13-21/h4-6,9-10,12-13,18-19H,2-3,7-8,11,14-17H2,1H3,(H,25,30)