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

Systemtic Name: N-[2-[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-2-phenyl-ethanamide Openeye Name: N-[2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-2-phenyl-acetamide CAS Name: N-[2-[4-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-2-phenylacetamide IUPAC Name: N-[2-[4-(5-tert-butyl-2-methylpyrazole-3-carbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-2-phenylacetamide Traditional Name: N-[2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]-2-phenyl-acetamide Formula: C33H43N7O3 MolecularWeight: 585.73962

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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)CC5=CC=CC=C5)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)CC5=CC=CC=C5)C

InChI

InChI=1S/C33H43N7O3/c1-33(2,3)29-23-28(37(4)36-29)32(43)40-19-17-38(18-20-40)27-12-11-25(31(42)39-15-8-13-34-14-16-39)22-26(27)35-30(41)21-24-9-6-5-7-10-24/h5-7,9-12,22-23,34H,8,13-21H2,1-4H3,(H,35,41)