4-[3-(1-methylimidazol-2-yl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-[3-(1-methylimidazol-2-yl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(1-methylimidazol-2-yl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(1-methyl-2-imidazolyl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-(1-methylimidazol-2-yl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(1-methylimidazol-2-yl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C27H20N4O MolecularWeight: 416.4739

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C2=CC(=CC=C2)C3=NC4=C(C=C(C=C4)C#CC5=CC=CC=C5)NC(=O)C3

Isomeric SMILES

CN1C=CN=C1C2=CC(=CC=C2)C3=NC4=C(C=C(C=C4)C#CC5=CC=CC=C5)NC(=O)C3

InChI

InChI=1S/C27H20N4O/c1-31-15-14-28-27(31)22-9-5-8-21(17-22)24-18-26(32)30-25-16-20(12-13-23(25)29-24)11-10-19-6-3-2-4-7-19/h2-9,12-17H,18H2,1H3,(H,30,32)