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

Systemtic Name: 4-[3-(4-methylpiperazin-1-yl)carbonylphenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(4-methylpiperazine-1-carbonyl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-(4-methylpiperazine-1-carbonyl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(4-methylpiperazine-1-carbonyl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C29H26N4O2 MolecularWeight: 462.54234

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC(=C2)C3=NC4=C(C=C(C=C4)C#CC5=CC=CC=C5)NC(=O)C3

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC(=C2)C3=NC4=C(C=C(C=C4)C#CC5=CC=CC=C5)NC(=O)C3

InChI

InChI=1S/C29H26N4O2/c1-32-14-16-33(17-15-32)29(35)24-9-5-8-23(19-24)26-20-28(34)31-27-18-22(12-13-25(27)30-26)11-10-21-6-3-2-4-7-21/h2-9,12-13,18-19H,14-17,20H2,1H3,(H,31,34)