2-[[[(1S)-1-(4-butylphenyl)-2-methyl-propyl]amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[[(1S)-1-(4-butylphenyl)-2-methyl-propyl]amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[[(1S)-1-(4-butylphenyl)-2-methyl-propyl]amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[[(1S)-1-(4-butylphenyl)-2-methyl-propyl]amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C(C)C)NCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)[C@H](C(C)C)NCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C25H33N3O3/c1-6-7-8-17-9-11-18(12-10-17)24(16(2)3)26-15-23-27-20-14-22(31-5)21(30-4)13-19(20)25(29)28-23/h9-14,16,24,26H,6-8,15H2,1-5H3,(H,27,28,29)/t24-/m0/s1