2-[3-[4-(7-methoxyisoquinolin-1-yl)piperazin-1-yl]propylamino]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[4-(7-methoxyisoquinolin-1-yl)piperazin-1-yl]propylamino]-1H-quinazolin-4-one Openeye Name: 2-[3-[4-(7-methoxy-1-isoquinolyl)piperazin-1-yl]propylamino]-1H-quinazolin-4-one CAS Name: 2-[3-[4-(7-methoxy-1-isoquinolinyl)-1-piperazinyl]propylamino]-1H-quinazolin-4-one IUPAC Name: 2-[3-[4-(7-methoxyisoquinolin-1-yl)piperazin-1-yl]propylamino]-1H-quinazolin-4-one Traditional Name: 2-[3-[4-(7-methoxy-1-isoquinolyl)piperazino]propylamino]-1H-quinazolin-4-one Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CN=C2N3CCN(CC3)CCCNC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

COC1=CC2=C(C=C1)C=CN=C2N3CCN(CC3)CCCNC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C25H28N6O2/c1-33-19-8-7-18-9-11-26-23(21(18)17-19)31-15-13-30(14-16-31)12-4-10-27-25-28-22-6-3-2-5-20(22)24(32)29-25/h2-3,5-9,11,17H,4,10,12-16H2,1H3,(H2,27,28,29,32)