azepan-1-yl-[1-[4-(2,5-dimethylpyrrol-1-yl)-5-methyl-2-phenyl-pyrazol-3-yl]piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-(2,5-dimethylpyrrol-1-yl)-5-methyl-2-phenyl-pyrazol-3-yl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-(2,5-dimethylpyrrol-1-yl)-5-methyl-2-phenyl-pyrazol-3-yl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[4-(2,5-dimethyl-1-pyrrolyl)-5-methyl-2-phenyl-3-pyrazolyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(2,5-dimethylpyrrol-1-yl)-5-methyl-2-phenylpyrazol-3-yl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(2,5-dimethylpyrrol-1-yl)-5-methyl-2-phenyl-pyrazol-3-yl]-4-piperidyl]methanone Formula: C28H37N5O MolecularWeight: 459.62628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(N(N=C2C)C3=CC=CC=C3)N4CCC(CC4)C(=O)N5CCCCCC5)C

Isomeric SMILES

CC1=CC=C(N1C2=C(N(N=C2C)C3=CC=CC=C3)N4CCC(CC4)C(=O)N5CCCCCC5)C

InChI

InChI=1S/C28H37N5O/c1-21-13-14-22(2)32(21)26-23(3)29-33(25-11-7-6-8-12-25)27(26)30-19-15-24(16-20-30)28(34)31-17-9-4-5-10-18-31/h6-8,11-14,24H,4-5,9-10,15-20H2,1-3H3