2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[4-[2-(tert-butylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(5-cyclopentyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(5-cyclopentyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[4-[2-(tert-butylamino)-2-keto-ethyl]-1,4-diazepan-1-yl]-N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C27H40N6O2 MolecularWeight: 480.6455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CCCC4

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C27H40N6O2/c1-27(2,3)29-26(35)20-32-15-9-14-31(16-17-32)19-25(34)28-24-18-23(21-10-7-8-11-21)30-33(24)22-12-5-4-6-13-22/h4-6,12-13,18,21H,7-11,14-17,19-20H2,1-3H3,(H,28,34)(H,29,35)