2-[3-oxidanylidene-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-oxidanylidene-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-oxo-3-[4-(8-quinolylmethyl)piperazin-1-yl]propyl]-1H-quinazolin-4-one CAS Name: 2-[3-oxo-3-[4-(8-quinolinylmethyl)-1-piperazinyl]propyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]-1H-quinazolin-4-one Traditional Name: 2-[3-keto-3-[4-(8-quinolylmethyl)piperazino]propyl]-1H-quinazolin-4-one Formula: C25H25N5O2 MolecularWeight: 427.4983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C(=O)CCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C(=O)CCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C25H25N5O2/c31-23(11-10-22-27-21-9-2-1-8-20(21)25(32)28-22)30-15-13-29(14-16-30)17-19-6-3-5-18-7-4-12-26-24(18)19/h1-9,12H,10-11,13-17H2,(H,27,28,32)