1-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-3-ylmethyl)-2,3-dihydroquinazolin-4-one

Systemtic Name: 1-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-3-ylmethyl)-2,3-dihydroquinazolin-4-one Openeye Name: 1-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(3-pyridylmethyl)-2,3-dihydroquinazolin-4-one CAS Name: 1-[2-(4-phenyl-1-piperazinyl)ethyl]-2-(3-pyridinylmethyl)-2,3-dihydroquinazolin-4-one IUPAC Name: 1-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-3-ylmethyl)-2,3-dihydroquinazolin-4-one Traditional Name: 1-[2-(4-phenylpiperazino)ethyl]-2-(3-pyridylmethyl)-2,3-dihydroquinazolin-4-one Formula: C26H29N5O MolecularWeight: 427.54136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(NC(=O)C3=CC=CC=C32)CC4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCN2C(NC(=O)C3=CC=CC=C32)CC4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O/c32-26-23-10-4-5-11-24(23)31(25(28-26)19-21-7-6-12-27-20-21)18-15-29-13-16-30(17-14-29)22-8-2-1-3-9-22/h1-12,20,25H,13-19H2,(H,28,32)