3-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: 3-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: 3-[1-(2-amino-2-oxo-ethyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: 3-[1-(2-amino-2-oxoethyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 3-[1-(2-amino-2-oxoethyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: 3-[1-(2-amino-2-keto-ethyl)-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC(=O)N)CCC(=O)N)C3=CC(=CC=C3)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC(=O)N)CCC(=O)N)C3=CC(=CC=C3)O

InChI

InChI=1S/C20H20N4O4/c21-17(26)9-8-15-20(28)24(11-18(22)27)16-7-2-1-6-14(16)19(23-15)12-4-3-5-13(25)10-12/h1-7,10,15,25H,8-9,11H2,(H2,21,26)(H2,22,27)