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

Systemtic Name: 4-bromanyl-3-[(2-chlorophenyl)carbonylamino]-N-[(3R)-2-oxidanylideneazepan-3-yl]-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(3R)-2-oxoazepan-3-yl]-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-3-[[(2-chlorophenyl)-oxomethyl]amino]-N-[(3R)-2-oxo-3-azepanyl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(3R)-2-oxoazepan-3-yl]-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(3R)-2-ketoazepan-3-yl]-1H-pyrazole-5-carboxamide Formula: C17H17BrClN5O3 MolecularWeight: 454.70558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=C(C(=NN2)NC(=O)C3=CC=CC=C3Cl)Br

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)NC(=O)C2=C(C(=NN2)NC(=O)C3=CC=CC=C3Cl)Br

InChI

InChI=1S/C17H17BrClN5O3/c18-12-13(17(27)21-11-7-3-4-8-20-16(11)26)23-24-14(12)22-15(25)9-5-1-2-6-10(9)19/h1-2,5-6,11H,3-4,7-8H2,(H,20,26)(H,21,27)(H2,22,23,24,25)/t11-/m1/s1