3,7-dimethyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]quinazolin-4-one

Systemtic Name: 3,7-dimethyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]quinazolin-4-one Openeye Name: 3,7-dimethyl-2-[4-[4-(2-quinolyl)piperazin-1-yl]butyl]quinazolin-4-one CAS Name: 3,7-dimethyl-2-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl]-4-quinazolinone IUPAC Name: 3,7-dimethyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]quinazolin-4-one Traditional Name: 3,7-dimethyl-2-[4-[4-(2-quinolyl)piperazino]butyl]quinazolin-4-one Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=N2)CCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=N2)CCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C27H31N5O/c1-20-10-12-22-24(19-20)29-25(30(2)27(22)33)9-5-6-14-31-15-17-32(18-16-31)26-13-11-21-7-3-4-8-23(21)28-26/h3-4,7-8,10-13,19H,5-6,9,14-18H2,1-2H3