N-[2-[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-cyano-benzamide

Systemtic Name: N-[2-[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-cyano-benzamide Openeye Name: N-[2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-cyano-benzamide CAS Name: N-[2-[4-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[2-[4-(5-tert-butyl-2-methylpyrazole-3-carbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-cyanobenzamide Traditional Name: N-[2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-cyano-benzamide Formula: C33H40N8O3 MolecularWeight: 596.7225

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC=C(C=C5)C#N)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC=C(C=C5)C#N)C

InChI

InChI=1S/C33H40N8O3/c1-33(2,3)29-21-28(38(4)37-29)32(44)41-18-16-39(17-19-41)27-11-10-25(31(43)40-14-5-12-35-13-15-40)20-26(27)36-30(42)24-8-6-23(22-34)7-9-24/h6-11,20-21,35H,5,12-19H2,1-4H3,(H,36,42)