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

Systemtic Name: 7-chloranyl-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-phenyl-1-propargyl-3H-1,4-benzodiazepin-2-one Formula: C18H13ClN2O MolecularWeight: 308.76162

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

C#CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H13ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2