2-[2-[4-(1H-indazol-3-yl)piperazin-1-yl]ethylamino]-6-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[2-[4-(1H-indazol-3-yl)piperazin-1-yl]ethylamino]-6-methyl-1H-quinazolin-4-one Openeye Name: 2-[2-[4-(1H-indazol-3-yl)piperazin-1-yl]ethylamino]-6-methyl-1H-quinazolin-4-one CAS Name: 2-[2-[4-(1H-indazol-3-yl)-1-piperazinyl]ethylamino]-6-methyl-1H-quinazolin-4-one IUPAC Name: 2-[2-[4-(1H-indazol-3-yl)piperazin-1-yl]ethylamino]-6-methyl-1H-quinazolin-4-one Traditional Name: 2-[2-[4-(1H-indazol-3-yl)piperazino]ethylamino]-6-methyl-1H-quinazolin-4-one Formula: C22H25N7O MolecularWeight: 403.4802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=NC2=O)NCCN3CCN(CC3)C4=NNC5=CC=CC=C54

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=NC2=O)NCCN3CCN(CC3)C4=NNC5=CC=CC=C54

InChI

InChI=1S/C22H25N7O/c1-15-6-7-18-17(14-15)21(30)25-22(24-18)23-8-9-28-10-12-29(13-11-28)20-16-4-2-3-5-19(16)26-27-20/h2-7,14H,8-13H2,1H3,(H,26,27)(H2,23,24,25,30)