N-[2-azanyl-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-9-yl]ethanamide

Systemtic Name: N-[2-azanyl-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-9-yl]ethanamide Openeye Name: N-[2-amino-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-9-yl]acetamide CAS Name: N-[2-amino-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-9-yl]acetamide IUPAC Name: N-[2-amino-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-9-yl]acetamide Traditional Name: N-[2-amino-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-9-yl]acetamide Formula: C18H15F3N4O MolecularWeight: 360.33311

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C1N=C(CN=C2C3=CC=C(C=C3)C(F)(F)F)N

Isomeric SMILES

CC(=O)NC1=CC=CC2=C1N=C(CN=C2C3=CC=C(C=C3)C(F)(F)F)N

InChI

InChI=1S/C18H15F3N4O/c1-10(26)24-14-4-2-3-13-16(23-9-15(22)25-17(13)14)11-5-7-12(8-6-11)18(19,20)21/h2-8H,9H2,1H3,(H2,22,25)(H,24,26)