N-[2-[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)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]ethanamide Openeye Name: N-[2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)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]acetamide IUPAC Name: N-[2-[4-(5-tert-butyl-2-methylpyrazole-3-carbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]acetamide Traditional Name: N-[2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]acetamide Formula: C27H39N7O3 MolecularWeight: 509.64366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCN(CC3)C(=O)C4=CC(=NN4C)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCN(CC3)C(=O)C4=CC(=NN4C)C(C)(C)C

InChI

InChI=1S/C27H39N7O3/c1-19(35)29-21-17-20(25(36)33-11-6-9-28-10-12-33)7-8-22(21)32-13-15-34(16-14-32)26(37)23-18-24(27(2,3)4)30-31(23)5/h7-8,17-18,28H,6,9-16H2,1-5H3,(H,29,35)