N-(5-acetamido-2-methoxy-phenyl)-3-[2,5-bis(oxidanylidene)-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-3-[2,5-bis(oxidanylidene)-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)propanamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-3-(2,5-diketo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)propionamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CCC2C(=O)NC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CCC2C(=O)NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C21H22N4O5/c1-12(26)22-13-7-9-18(30-2)17(11-13)23-19(27)10-8-16-21(29)24-15-6-4-3-5-14(15)20(28)25-16/h3-7,9,11,16H,8,10H2,1-2H3,(H,22,26)(H,23,27)(H,24,29)(H,25,28)