2-[[4-(7-methoxy-2-methyl-quinolin-3-yl)carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(7-methoxy-2-methyl-quinolin-3-yl)carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(7-methoxy-2-methyl-quinoline-3-carbonyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(7-methoxy-2-methyl-3-quinolinyl)-oxomethyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(7-methoxy-2-methyl-quinoline-3-carbonyl)piperazino]methyl]-1H-quinazolin-4-one Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)N3CCN(CC3)CC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)N3CCN(CC3)CC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C25H25N5O3/c1-16-20(13-17-7-8-18(33-2)14-22(17)26-16)25(32)30-11-9-29(10-12-30)15-23-27-21-6-4-3-5-19(21)24(31)28-23/h3-8,13-14H,9-12,15H2,1-2H3,(H,27,28,31)