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

Systemtic Name: 4-(3-imidazol-1-ylphenyl)-7-(4-oxidanylidenepiperidin-1-yl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-(3-imidazol-1-ylphenyl)-7-(4-oxo-1-piperidyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(1-imidazolyl)phenyl]-7-(4-oxo-1-piperidinyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-(3-imidazol-1-ylphenyl)-7-(4-oxopiperidin-1-yl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-(3-imidazol-1-ylphenyl)-7-(4-ketopiperidino)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C31H25N5O2 MolecularWeight: 499.5625

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C2=CC3=C(C=C2C#CC4=CC=CC=C4)NC(=O)CC(=N3)C5=CC(=CC=C5)N6C=CN=C6

Isomeric SMILES

C1CN(CCC1=O)C2=CC3=C(C=C2C#CC4=CC=CC=C4)NC(=O)CC(=N3)C5=CC(=CC=C5)N6C=CN=C6

InChI

InChI=1S/C31H25N5O2/c37-26-11-14-35(15-12-26)30-19-29-28(18-24(30)10-9-22-5-2-1-3-6-22)34-31(38)20-27(33-29)23-7-4-8-25(17-23)36-16-13-32-21-36/h1-8,13,16-19,21H,11-12,14-15,20H2,(H,34,38)