N-tert-butyl-2-[4-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]-1,4-diazepan-1-yl]acetamide Formula: C28H35N5O2 MolecularWeight: 473.6098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCCN(CC3)CC(=O)NC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCCN(CC3)CC(=O)NC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C28H35N5O2/c1-21-11-8-9-14-23(21)26-24(19-33(30-26)22-12-6-5-7-13-22)27(35)32-16-10-15-31(17-18-32)20-25(34)29-28(2,3)4/h5-9,11-14,19H,10,15-18,20H2,1-4H3,(H,29,34)