4-bromanyl-N-[(2S)-1-[[3-(cyclopropylcarbonylamino)phenyl]methylamino]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[(2S)-1-[[3-(cyclopropylcarbonylamino)phenyl]methylamino]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 4-bromo-N-[(1S)-2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-methyl-2-oxo-ethyl]benzamide CAS Name: 4-bromo-N-[(2S)-1-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide IUPAC Name: 4-bromo-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide Traditional Name: 4-bromo-N-[(1S)-2-[[3-(cyclopropanecarbonylamino)benzyl]amino]-2-keto-1-methyl-ethyl]benzamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=CC=C1)NC(=O)C2CC2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC(=CC=C1)NC(=O)C2CC2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O3/c1-13(24-20(27)16-7-9-17(22)10-8-16)19(26)23-12-14-3-2-4-18(11-14)25-21(28)15-5-6-15/h2-4,7-11,13,15H,5-6,12H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t13-/m0/s1