3-[7-(4-methoxypiperidin-1-yl)-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[7-(4-methoxypiperidin-1-yl)-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[7-(4-methoxy-1-piperidyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[7-(4-methoxy-1-piperidinyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[7-(4-methoxypiperidin-1-yl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-7-(4-methoxypiperidino)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C30H26N4O2 MolecularWeight: 474.55304

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(CC1)C2=CC3=C(C=C2C#CC4=CC=CC=C4)NC(=O)CC(=N3)C5=CC=CC(=C5)C#N

Isomeric SMILES

COC1CCN(CC1)C2=CC3=C(C=C2C#CC4=CC=CC=C4)NC(=O)CC(=N3)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C30H26N4O2/c1-36-25-12-14-34(15-13-25)29-18-28-27(17-24(29)11-10-21-6-3-2-4-7-21)33-30(35)19-26(32-28)23-9-5-8-22(16-23)20-31/h2-9,16-18,25H,12-15,19H2,1H3,(H,33,35)