3-[8-(furan-3-yl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[8-(furan-3-yl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-(3-furyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-(3-furanyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-(furan-3-yl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-(3-furyl)-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C20H13N3O2 MolecularWeight: 327.33612

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C3=COC=C3)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C3=COC=C3)NC1=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H13N3O2/c21-11-13-2-1-3-15(8-13)18-10-20(24)23-19-9-14(4-5-17(19)22-18)16-6-7-25-12-16/h1-9,12H,10H2,(H,23,24)