methylcarbamoyl 2-(1-ethyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)ethanoate; 1-methylpyridin-1-ium; iodide

Systemtic Name: methylcarbamoyl 2-(1-ethyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)ethanoate; 1-methylpyridin-1-ium; iodide Openeye Name: methylcarbamoyl 2-(1-ethyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetate; 1-methylpyridin-1-ium; iodide CAS Name: 2-(1-ethyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetic acid methylcarbamoyl ester; 1-methylpyridin-1-ium; iodide IUPAC Name: methylcarbamoyl 2-(1-ethyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetate; 1-methylpyridin-1-ium; iodide Traditional Name: 2-(1-ethyl-3-keto-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetic acid methylcarbamoyl ester; 1-methylpyridin-1-ium; iodide Formula: C29H35IN4O4 MolecularWeight: 630.51707

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=O)N(CC2=CC=CC=C21)CCC3=CC=CC=C3)CC(=O)OC(=O)NC.C[N+]1=CC=CC=C1.[I-]

Isomeric SMILES

CCN1C(C(=O)N(CC2=CC=CC=C21)CCC3=CC=CC=C3)CC(=O)OC(=O)NC.C[N+]1=CC=CC=C1.[I-]

InChI

InChI=1S/C23H27N3O4.C6H8N.HI/c1-3-26-19-12-8-7-11-18(19)16-25(14-13-17-9-5-4-6-10-17)22(28)20(26)15-21(27)30-23(29)24-2;1-7-5-3-2-4-6-7;/h4-12,20H,3,13-16H2,1-2H3,(H,24,29);2-6H,1H3;1H/q;+1;/p-1