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

Systemtic Name: 4-[3-[3-(2-methoxyphenyl)propanoylamino]-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzamide Openeye Name: 4-[3-[3-(2-methoxyphenyl)propanoylamino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide CAS Name: 4-[3-[[3-(2-methoxyphenyl)-1-oxopropyl]amino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide IUPAC Name: 4-[3-[3-(2-methoxyphenyl)propanoylamino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide Traditional Name: 4-[2-keto-3-[3-(2-methoxyphenyl)propanoylamino]-1-methyl-3H-1,4-benzodiazepin-5-yl]benzamide Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCC3=CC=CC=C3OC)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCC3=CC=CC=C3OC)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C27H26N4O4/c1-31-21-9-5-4-8-20(21)24(18-11-13-19(14-12-18)25(28)33)30-26(27(31)34)29-23(32)16-15-17-7-3-6-10-22(17)35-2/h3-14,26H,15-16H2,1-2H3,(H2,28,33)(H,29,32)