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

Systemtic Name: 3-[8-(3-methylbut-3-en-1-ynyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-(3-methylbut-3-en-1-ynyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-(3-methylbut-3-en-1-ynyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-(3-methylbut-3-en-1-ynyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-8-(3-methylbut-3-en-1-ynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C21H15N3O MolecularWeight: 325.3633

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C#CC1=CC2=C(C=C1)N=C(CC(=O)N2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(=C)C#CC1=CC2=C(C=C1)N=C(CC(=O)N2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H15N3O/c1-14(2)6-7-15-8-9-18-20(11-15)24-21(25)12-19(23-18)17-5-3-4-16(10-17)13-22/h3-5,8-11H,1,12H2,2H3,(H,24,25)