N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-[(phenylmethyl)carbamoylamino]cyclopentane-1-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-[(phenylmethyl)carbamoylamino]cyclopentane-1-carboxamide Openeye Name: 1-(benzylcarbamoylamino)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]cyclopentanecarboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-[[oxo-[(phenylmethyl)amino]methyl]amino]-1-cyclopentanecarboxamide IUPAC Name: 1-(benzylcarbamoylamino)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide Traditional Name: 1-(benzylcarbamoylamino)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]cyclopentanecarboxamide Formula: C23H27BrN4O3 MolecularWeight: 487.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2(CCCC2)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2(CCCC2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H27BrN4O3/c1-16-13-18(24)9-10-19(16)27-20(29)15-25-21(30)23(11-5-6-12-23)28-22(31)26-14-17-7-3-2-4-8-17/h2-4,7-10,13H,5-6,11-12,14-15H2,1H3,(H,25,30)(H,27,29)(H2,26,28,31)