7-methyl-4-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]-3H-1,5-benzodiazepine

Systemtic Name: 7-methyl-4-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]-3H-1,5-benzodiazepine Openeye Name: 7-methyl-4-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]-3H-1,5-benzodiazepine CAS Name: 7-methyl-4-(1-piperazinyl)-2-[4-(trifluoromethyl)phenyl]-3H-1,5-benzodiazepine IUPAC Name: 7-methyl-4-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]-3H-1,5-benzodiazepine Traditional Name: 7-methyl-4-piperazino-2-[4-(trifluoromethyl)phenyl]-3H-1,5-benzodiazepine Formula: C21H21F3N4 MolecularWeight: 386.41345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(CC(=N2)N3CCNCC3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(CC(=N2)N3CCNCC3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H21F3N4/c1-14-2-7-17-19(12-14)27-20(28-10-8-25-9-11-28)13-18(26-17)15-3-5-16(6-4-15)21(22,23)24/h2-7,12,25H,8-11,13H2,1H3