3-[2-oxidanylidene-8-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[2-oxidanylidene-8-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[2-oxo-8-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[2-oxo-8-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[2-oxo-8-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-8-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC=C1C2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CNCC=C1C2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H18N4O/c22-13-14-2-1-3-17(10-14)19-12-21(26)25-20-11-16(4-5-18(20)24-19)15-6-8-23-9-7-15/h1-6,10-11,23H,7-9,12H2,(H,25,26)