(5Z)-5-[4-[(2-chlorophenyl)carbonylamino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-3-cyclobutyl-N-phenethyl-1H-pyrazole-2-carboxamide

Systemtic Name: (5Z)-5-[4-[(2-chlorophenyl)carbonylamino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-3-cyclobutyl-N-phenethyl-1H-pyrazole-2-carboxamide Openeye Name: (5Z)-5-[4-[(2-chlorobenzoyl)amino]-6-oxo-cyclohexa-2,4-dien-1-ylidene]-3-cyclobutyl-N-phenethyl-1H-pyrazole-2-carboxamide CAS Name: (5Z)-5-[4-[[(2-chlorophenyl)-oxomethyl]amino]-6-oxo-1-cyclohexa-2,4-dienylidene]-3-cyclobutyl-N-phenethyl-1H-pyrazole-2-carboxamide IUPAC Name: (5Z)-5-[4-[(2-chlorobenzoyl)amino]-6-oxocyclohexa-2,4-dien-1-ylidene]-3-cyclobutyl-N-phenethyl-1H-pyrazole-2-carboxamide Traditional Name: (3Z)-3-[4-[(2-chlorobenzoyl)amino]-6-keto-cyclohexa-2,4-dien-1-ylidene]-5-cyclobutyl-N-phenethyl-3-pyrazoline-1-carboxamide Formula: C29H27ClN4O3 MolecularWeight: 515.00268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C2=CC(=C3C=CC(=CC3=O)NC(=O)C4=CC=CC=C4Cl)NN2C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CC(C1)C2=C/C(=C/3\C=CC(=CC3=O)NC(=O)C4=CC=CC=C4Cl)/NN2C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H27ClN4O3/c30-24-12-5-4-11-22(24)28(36)32-21-13-14-23(27(35)17-21)25-18-26(20-9-6-10-20)34(33-25)29(37)31-16-15-19-7-2-1-3-8-19/h1-5,7-8,11-14,17-18,20,33H,6,9-10,15-16H2,(H,31,37)(H,32,36)/b25-23-