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

Systemtic Name: (E)-N-methyl-3-(4-methyl-2-oxidanylidene-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide hydrochloride Openeye Name: (E)-N-methyl-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-(p-tolylmethyl)prop-2-enamide hydrochloride CAS Name: (E)-N-methyl-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-[(4-methylphenyl)methyl]-2-propenamide hydrochloride IUPAC Name: (E)-N-methyl-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide hydrochloride Traditional Name: (E)-3-(2-keto-4-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(4-methylbenzyl)acrylamide hydrochloride Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)C(=O)C=CC2=CC3=C(NC(=O)CN(C3)C)N=C2.Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)C(=O)/C=C/C2=CC3=C(NC(=O)CN(C3)C)N=C2.Cl

InChI

InChI=1S/C21H24N4O2.ClH/c1-15-4-6-16(7-5-15)12-25(3)20(27)9-8-17-10-18-13-24(2)14-19(26)23-21(18)22-11-17;/h4-11H,12-14H2,1-3H3,(H,22,23,26);1H/b9-8+;