3-[8-(2-tert-butylpyrrol-1-yl)-7-methoxy-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[8-(2-tert-butylpyrrol-1-yl)-7-methoxy-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-(2-tert-butylpyrrol-1-yl)-7-methoxy-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-(2-tert-butyl-1-pyrrolyl)-7-methoxy-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-(2-tert-butylpyrrol-1-yl)-7-methoxy-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-(2-tert-butylpyrrol-1-yl)-2-keto-7-methoxy-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CN1C2=C(C=C3C(=C2)NC(=O)CC(=N3)C4=CC=CC(=C4)C#N)OC

Isomeric SMILES

CC(C)(C)C1=CC=CN1C2=C(C=C3C(=C2)NC(=O)CC(=N3)C4=CC=CC(=C4)C#N)OC

InChI

InChI=1S/C25H24N4O2/c1-25(2,3)23-9-6-10-29(23)21-12-19-20(13-22(21)31-4)27-18(14-24(30)28-19)17-8-5-7-16(11-17)15-26/h5-13H,14H2,1-4H3,(H,28,30)