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

Systemtic Name: 4-[3-[3-(3-hydroxyphenyl)propanoylamino]-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzamide Openeye Name: 4-[3-[3-(3-hydroxyphenyl)propanoylamino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide CAS Name: 4-[3-[[3-(3-hydroxyphenyl)-1-oxopropyl]amino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide IUPAC Name: 4-[3-[3-(3-hydroxyphenyl)propanoylamino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide Traditional Name: 4-[3-[3-(3-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(=CC=C3)O)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

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

InChI

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