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

Systemtic Name: 2-[[4-(4-butoxy-3-methoxy-phenyl)carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-butoxy-3-methoxy-benzoyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(4-butoxy-3-methoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-butoxy-3-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-butoxy-3-methoxy-benzoyl)piperazino]methyl]-1H-quinazolin-4-one Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)OC

InChI

InChI=1S/C25H30N4O4/c1-3-4-15-33-21-10-9-18(16-22(21)32-2)25(31)29-13-11-28(12-14-29)17-23-26-20-8-6-5-7-19(20)24(30)27-23/h5-10,16H,3-4,11-15,17H2,1-2H3,(H,26,27,30)