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

Systemtic Name: 3-[1-(2-azanyl-2-oxidanylidene-ethyl)-8-chloranyl-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: 3-[1-(2-amino-2-oxo-ethyl)-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: 3-[1-(2-amino-2-oxoethyl)-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 3-[1-(2-amino-2-oxoethyl)-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: 3-[1-(2-amino-2-keto-ethyl)-8-chloro-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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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(=O)N)CCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O4/c21-12-4-5-14-16(9-12)25(10-18(23)28)20(29)15(6-7-17(22)27)24-19(14)11-2-1-3-13(26)8-11/h1-5,8-9,15,26H,6-7,10H2,(H2,22,27)(H2,23,28)