4-(3-imidazol-1-ylphenyl)-7-(4-methoxypiperidin-1-yl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-(3-imidazol-1-ylphenyl)-7-(4-methoxypiperidin-1-yl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-(3-imidazol-1-ylphenyl)-7-(4-methoxy-1-piperidyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(1-imidazolyl)phenyl]-7-(4-methoxy-1-piperidinyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-(3-imidazol-1-ylphenyl)-7-(4-methoxypiperidin-1-yl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-(3-imidazol-1-ylphenyl)-7-(4-methoxypiperidino)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C32H29N5O2 MolecularWeight: 515.60496

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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)N6C=CN=C6

Isomeric SMILES

COC1CCN(CC1)C2=CC3=C(C=C2C#CC4=CC=CC=C4)NC(=O)CC(=N3)C5=CC(=CC=C5)N6C=CN=C6

InChI

InChI=1S/C32H29N5O2/c1-39-27-12-15-36(16-13-27)31-20-30-29(19-25(31)11-10-23-6-3-2-4-7-23)35-32(38)21-28(34-30)24-8-5-9-26(18-24)37-17-14-33-22-37/h2-9,14,17-20,22,27H,12-13,15-16,21H2,1H3,(H,35,38)