2-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-1H-quinazolin-4-one Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)NCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H25N3O/c1-4-15-9-11-16(12-10-15)20(14(2)3)22-13-19-23-18-8-6-5-7-17(18)21(25)24-19/h5-12,14,20,22H,4,13H2,1-3H3,(H,23,24,25)/t20-/m0/s1