[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[5-methyl-1-(o-tolyl)pyrazol-4-yl]methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-[5-methyl-1-(2-methylphenyl)-4-pyrazolyl]methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-[5-methyl-1-(o-tolyl)pyrazol-4-yl]methanone Formula: C25H27N7O MolecularWeight: 441.52818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N)C

InChI

InChI=1S/C25H27N7O/c1-17-7-3-6-10-22(17)32-18(2)20(15-27-32)25(33)31-13-11-30(12-14-31)16-23-28-21-9-5-4-8-19(21)24(26)29-23/h3-10,15H,11-14,16H2,1-2H3,(H2,26,28,29)