4-bromanyl-5-[(2-chlorophenyl)carbonylamino]-N-[(3R)-2-oxidanylideneazepan-3-yl]-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-5-[(2-chlorophenyl)carbonylamino]-N-[(3R)-2-oxidanylideneazepan-3-yl]-1-phenyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-5-[(2-chlorobenzoyl)amino]-N-[(3R)-2-oxoazepan-3-yl]-1-phenyl-pyrazole-3-carboxamide CAS Name: 4-bromo-5-[[(2-chlorophenyl)-oxomethyl]amino]-N-[(3R)-2-oxo-3-azepanyl]-1-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-5-[(2-chlorobenzoyl)amino]-N-[(3R)-2-oxoazepan-3-yl]-1-phenylpyrazole-3-carboxamide Traditional Name: 4-bromo-5-[(2-chlorobenzoyl)amino]-N-[(3R)-2-ketoazepan-3-yl]-1-phenyl-pyrazole-3-carboxamide Formula: C23H21BrClN5O3 MolecularWeight: 530.80154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=NN(C(=C2Br)NC(=O)C3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)NC(=O)C2=NN(C(=C2Br)NC(=O)C3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H21BrClN5O3/c24-18-19(23(33)27-17-12-6-7-13-26-22(17)32)29-30(14-8-2-1-3-9-14)20(18)28-21(31)15-10-4-5-11-16(15)25/h1-5,8-11,17H,6-7,12-13H2,(H,26,32)(H,27,33)(H,28,31)/t17-/m1/s1