3-(4-tert-butylphenyl)-4-[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentanal

Systemtic Name: 3-(4-tert-butylphenyl)-4-[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentanal Openeye Name: 3-(4-tert-butylphenyl)-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidyl]pentanal CAS Name: 3-(4-tert-butylphenyl)-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]pentanal IUPAC Name: 3-(4-tert-butylphenyl)-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentanal Traditional Name: 3-(4-tert-butylphenyl)-4-[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidino]valeraldehyde Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC=O)C1=CC=C(C=C1)C(C)(C)C)N2CCC(CC2)N3CC4=CC=CC=C4NC3=O

Isomeric SMILES

CC(C(CC=O)C1=CC=C(C=C1)C(C)(C)C)N2CCC(CC2)N3CC4=CC=CC=C4NC3=O

InChI

InChI=1S/C28H37N3O2/c1-20(25(15-18-32)21-9-11-23(12-10-21)28(2,3)4)30-16-13-24(14-17-30)31-19-22-7-5-6-8-26(22)29-27(31)33/h5-12,18,20,24-25H,13-17,19H2,1-4H3,(H,29,33)