azepan-1-yl-[1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylpiperidin-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylpiperidin-3-yl]methanone Openeye Name: azepan-1-yl-[1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)-3-piperidyl]methanone CAS Name: 1-azepanyl-[1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-3-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone Traditional Name: azepan-1-yl-[1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)-3-piperidyl]methanone Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C26H31N5O2/c32-25(29-16-6-1-2-7-17-29)21-11-10-18-30(20-21)26(33)23-19-27-31(22-12-4-3-5-13-22)24(23)28-14-8-9-15-28/h3-5,8-9,12-15,19,21H,1-2,6-7,10-11,16-18,20H2