3-(4-methylphenyl)-2-[1-(2-methylpropylamino)ethyl]quinazolin-4-one

Systemtic Name: 3-(4-methylphenyl)-2-[1-(2-methylpropylamino)ethyl]quinazolin-4-one Openeye Name: 2-[1-(isobutylamino)ethyl]-3-(p-tolyl)quinazolin-4-one CAS Name: 3-(4-methylphenyl)-2-[1-(2-methylpropylamino)ethyl]-4-quinazolinone IUPAC Name: 3-(4-methylphenyl)-2-[1-(2-methylpropylamino)ethyl]quinazolin-4-one Traditional Name: 2-[1-(isobutylamino)ethyl]-3-(p-tolyl)quinazolin-4-one Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)NCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)NCC(C)C

InChI

InChI=1S/C21H25N3O/c1-14(2)13-22-16(4)20-23-19-8-6-5-7-18(19)21(25)24(20)17-11-9-15(3)10-12-17/h5-12,14,16,22H,13H2,1-4H3