cyclopentyl-[4-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: cyclopentyl-[4-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: cyclopentyl-[4-[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]-1,4-diazepan-1-yl]methanone CAS Name: cyclopentyl-[4-[[3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1,4-diazepan-1-yl]methanone IUPAC Name: cyclopentyl-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]-1,4-diazepan-1-yl]methanone Traditional Name: cyclopentyl-[4-[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]-1,4-diazepan-1-yl]methanone Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCCN(CC3)C(=O)C4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCCN(CC3)C(=O)C4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H32N4O2/c1-21-10-5-8-15-24(21)26-25(20-32(29-26)23-13-3-2-4-14-23)28(34)31-17-9-16-30(18-19-31)27(33)22-11-6-7-12-22/h2-5,8,10,13-15,20,22H,6-7,9,11-12,16-19H2,1H3