2-[2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[2-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methylamino]ethyl]-1H-quinazolin-4-one CAS Name: 2-[2-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methylamino]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[2-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methylamino]ethyl]-1H-quinazolin-4-one Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)CNCCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)CNCCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C28H27N5O/c1-19-10-12-23(13-11-19)33-18-22(27(32-33)21-7-5-6-20(2)16-21)17-29-15-14-26-30-25-9-4-3-8-24(25)28(34)31-26/h3-13,16,18,29H,14-15,17H2,1-2H3,(H,30,31,34)