(E)-3-(3,3-dimethyl-2-oxidanylidene-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)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-[(3-methyl-1-benzothiophen-2-yl)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-[(3-methylbenzothiophen-2-yl)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-[(3-methyl-1-benzothiophen-2-yl)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-[(3-methyl-1-benzothiophen-2-yl)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-[(3-methylbenzothiophen-2-yl)methyl]acrylamide hydrochloride Formula: C24H27ClN4O2S MolecularWeight: 471.01478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CN(C)C(=O)C=CC3=CC4=C(NC(=O)C(NC4)(C)C)N=C3.Cl

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CN(C)C(=O)/C=C/C3=CC4=C(NC(=O)C(NC4)(C)C)N=C3.Cl

InChI

InChI=1S/C24H26N4O2S.ClH/c1-15-18-7-5-6-8-19(18)31-20(15)14-28(4)21(29)10-9-16-11-17-13-26-24(2,3)23(30)27-22(17)25-12-16;/h5-12,26H,13-14H2,1-4H3,(H,25,27,30);1H/b10-9+;