N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-[(phenylmethyl)carbamoylamino]phenyl]-5-fluoranyl-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-[(phenylmethyl)carbamoylamino]phenyl]-5-fluoranyl-4-methyl-benzamide Openeye Name: 3-[2-(benzylcarbamoylamino)-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-5-fluoro-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[4-[(2,2-dimethylpropylamino)-oxomethyl]-2-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]-5-fluoro-4-methylbenzamide IUPAC Name: 3-[2-(benzylcarbamoylamino)-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide Traditional Name: 3-[2-(benzylcarbamoylamino)-4-(neopentylcarbamoyl)phenyl]-N-cyclopropyl-5-fluoro-4-methyl-benzamide Formula: C31H35FN4O3 MolecularWeight: 530.633003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C2=C(C=C(C=C2)C(=O)NCC(C)(C)C)NC(=O)NCC3=CC=CC=C3)C(=O)NC4CC4)F

Isomeric SMILES

CC1=C(C=C(C=C1C2=C(C=C(C=C2)C(=O)NCC(C)(C)C)NC(=O)NCC3=CC=CC=C3)C(=O)NC4CC4)F

InChI

InChI=1S/C31H35FN4O3/c1-19-25(14-22(15-26(19)32)29(38)35-23-11-12-23)24-13-10-21(28(37)34-18-31(2,3)4)16-27(24)36-30(39)33-17-20-8-6-5-7-9-20/h5-10,13-16,23H,11-12,17-18H2,1-4H3,(H,34,37)(H,35,38)(H2,33,36,39)