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

Systemtic Name: 3-azanyl-7-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]quinazolin-4-one Openeye Name: 3-amino-7-methyl-2-[4-[4-(2-quinolyl)piperazin-1-yl]butyl]quinazolin-4-one CAS Name: 3-amino-7-methyl-2-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl]-4-quinazolinone IUPAC Name: 3-amino-7-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]quinazolin-4-one Traditional Name: 3-amino-7-methyl-2-[4-[4-(2-quinolyl)piperazino]butyl]quinazolin-4-one Formula: C26H30N6O MolecularWeight: 442.556

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O/c1-19-9-11-21-23(18-19)29-25(32(27)26(21)33)8-4-5-13-30-14-16-31(17-15-30)24-12-10-20-6-2-3-7-22(20)28-24/h2-3,6-7,9-12,18H,4-5,8,13-17,27H2,1H3