3-[8-chloranyl-1-(cyanomethyl)-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: 3-[8-chloranyl-1-(cyanomethyl)-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: 3-[8-chloro-1-(cyanomethyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: 3-[8-chloro-1-(cyanomethyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 3-[8-chloro-1-(cyanomethyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: 3-[8-chloro-1-(cyanomethyl)-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C20H17ClN4O3 MolecularWeight: 396.82698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C2=NC(C(=O)N(C3=C2C=CC(=C3)Cl)CC#N)CCC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)O)C2=NC(C(=O)N(C3=C2C=CC(=C3)Cl)CC#N)CCC(=O)N

InChI

InChI=1S/C20H17ClN4O3/c21-13-4-5-15-17(11-13)25(9-8-22)20(28)16(6-7-18(23)27)24-19(15)12-2-1-3-14(26)10-12/h1-5,10-11,16,26H,6-7,9H2,(H2,23,27)