3-[7-(furan-2-yl)-8-methoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[7-(furan-2-yl)-8-methoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[7-(2-furyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[7-(2-furanyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[7-(furan-2-yl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[7-(2-furyl)-2-keto-8-methoxy-1-methyl-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O3/c1-25-18-11-20(27-2)17(19-7-4-8-28-19)10-16(18)22(24-13-21(25)26)15-6-3-5-14(9-15)12-23/h3-11H,13H2,1-2H3