2-[2-(3-chloranylphenoxy)ethanoylamino]-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide

Systemtic Name: 2-[2-(3-chloranylphenoxy)ethanoylamino]-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: 2-[[2-(3-chlorophenoxy)-1-oxoethyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C27H25ClN4O4 MolecularWeight: 504.9648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)COC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)COC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H25ClN4O4/c1-17(29-23(33)16-36-20-12-8-11-19(28)15-20)26(34)31-25-27(35)32(2)22-14-7-6-13-21(22)24(30-25)18-9-4-3-5-10-18/h3-15,17,25H,16H2,1-2H3,(H,29,33)(H,31,34)