3-[7-(furan-2-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[7-(furan-2-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[7-(2-furyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[7-(2-furanyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[7-(furan-2-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[7-(2-furyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C21H15N3O2 MolecularWeight: 341.3627

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)C3=CC=CO3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)C3=CC=CO3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H15N3O2/c1-24-18-8-7-15(19-6-3-9-26-19)11-17(18)21(23-13-20(24)25)16-5-2-4-14(10-16)12-22/h2-11H,13H2,1H3