2-[2-[[[(1S)-1-(4-butylphenyl)-2-methyl-propyl]amino]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[[[(1S)-1-(4-butylphenyl)-2-methyl-propyl]amino]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[[(1S)-1-(4-butylphenyl)-2-methyl-propyl]amino]methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[[(1S)-1-(4-butylphenyl)-2-methyl-propyl]amino]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C25H32N4O2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C(C)C)NCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)[C@H](C(C)C)NCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

InChI

InChI=1S/C25H32N4O2/c1-4-5-8-18-11-13-19(14-12-18)24(17(2)3)27-15-23-28-21-10-7-6-9-20(21)25(31)29(23)16-22(26)30/h6-7,9-14,17,24,27H,4-5,8,15-16H2,1-3H3,(H2,26,30)/t24-/m0/s1