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

Systemtic Name: 3-[1-(cyanomethyl)-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: 3-[1-(cyanomethyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: 3-[1-(cyanomethyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 3-[1-(cyanomethyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: 3-[1-(cyanomethyl)-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3/c21-10-11-24-17-7-2-1-6-15(17)19(13-4-3-5-14(25)12-13)23-16(20(24)27)8-9-18(22)26/h1-7,12,16,25H,8-9,11H2,(H2,22,26)