7-chloranyl-3-oxidanyl-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-3-oxidanyl-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-3-hydroxy-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-3-hydroxy-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-3-hydroxy-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-3-hydroxy-5-phenyl-1-propargyl-3H-1,4-benzodiazepin-2-one Formula: C18H13ClN2O2 MolecularWeight: 324.76102

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H13ClN2O2/c1-2-10-21-15-9-8-13(19)11-14(15)16(20-17(22)18(21)23)12-6-4-3-5-7-12/h1,3-9,11,17,22H,10H2