4-[3-[3-(4-hydroxyphenyl)propanoylamino]-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzamide

Systemtic Name: 4-[3-[3-(4-hydroxyphenyl)propanoylamino]-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzamide Openeye Name: 4-[3-[3-(4-hydroxyphenyl)propanoylamino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide CAS Name: 4-[3-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide IUPAC Name: 4-[3-[3-(4-hydroxyphenyl)propanoylamino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide Traditional Name: 4-[3-[3-(4-hydroxyphenyl)propanoylamino]-2-keto-1-methyl-3H-1,4-benzodiazepin-5-yl]benzamide Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCC3=CC=C(C=C3)O)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCC3=CC=C(C=C3)O)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C26H24N4O4/c1-30-21-5-3-2-4-20(21)23(17-9-11-18(12-10-17)24(27)33)29-25(26(30)34)28-22(32)15-8-16-6-13-19(31)14-7-16/h2-7,9-14,25,31H,8,15H2,1H3,(H2,27,33)(H,28,32)