2-[[(4-tert-butylphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[(4-tert-butylphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[(4-tert-butylphenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[(4-tert-butylphenyl)methyl-(2-oxolanylmethyl)amino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[(4-tert-butylphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-tert-butylbenzyl)-(tetrahydrofurfuryl)amino]methyl]-1H-quinazolin-4-one Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CC2CCCO2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2CCCO2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H31N3O2/c1-25(2,3)19-12-10-18(11-13-19)15-28(16-20-7-6-14-30-20)17-23-26-22-9-5-4-8-21(22)24(29)27-23/h4-5,8-13,20H,6-7,14-17H2,1-3H3,(H,26,27,29)