(E)-3-(3,3-dimethyl-2-oxidanylidene-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-methyl-N-[[2-propoxy-3-(trifluoromethyloxy)phenyl]methyl]prop-2-enamide hydrochloride

Systemtic Name: (E)-3-(3,3-dimethyl-2-oxidanylidene-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-methyl-N-[[2-propoxy-3-(trifluoromethyloxy)phenyl]methyl]prop-2-enamide hydrochloride Openeye Name: (E)-3-(3,3-dimethyl-2-oxo-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-methyl-N-[[2-propoxy-3-(trifluoromethoxy)phenyl]methyl]prop-2-enamide hydrochloride CAS Name: (E)-3-(3,3-dimethyl-2-oxo-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-methyl-N-[[2-propoxy-3-(trifluoromethoxy)phenyl]methyl]-2-propenamide hydrochloride IUPAC Name: (E)-3-(3,3-dimethyl-2-oxo-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-methyl-N-[[2-propoxy-3-(trifluoromethoxy)phenyl]methyl]prop-2-enamide hydrochloride Traditional Name: (E)-3-(2-keto-3,3-dimethyl-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-methyl-N-[2-propoxy-3-(trifluoromethoxy)benzyl]acrylamide hydrochloride Formula: C25H30ClF3N4O4 MolecularWeight: 542.97831

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OC(F)(F)F)CN(C)C(=O)C=CC2=CC3=C(NC(=O)C(NC3)(C)C)N=C2.Cl

Isomeric SMILES

CCCOC1=C(C=CC=C1OC(F)(F)F)CN(C)C(=O)/C=C/C2=CC3=C(NC(=O)C(NC3)(C)C)N=C2.Cl

InChI

InChI=1S/C25H29F3N4O4.ClH/c1-5-11-35-21-17(7-6-8-19(21)36-25(26,27)28)15-32(4)20(33)10-9-16-12-18-14-30-24(2,3)23(34)31-22(18)29-13-16;/h6-10,12-13,30H,5,11,14-15H2,1-4H3,(H,29,31,34);1H/b10-9+;