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

Systemtic Name: 4-[2-(4-tert-butylphenyl)-4-(1-methylpiperidin-4-yl)-2-[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidin-1-yl]-3-methyl-4-oxidanylidene-butanal Openeye Name: 4-[2-(4-tert-butylphenyl)-4-(1-methyl-4-piperidyl)-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidyl]-1-piperidyl]-3-methyl-4-oxo-butanal CAS Name: 4-[2-(4-tert-butylphenyl)-4-(1-methyl-4-piperidinyl)-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]-1-piperidinyl]-3-methyl-4-oxobutanal IUPAC Name: 4-[2-(4-tert-butylphenyl)-4-(1-methylpiperidin-4-yl)-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidin-1-yl]-3-methyl-4-oxobutanal Traditional Name: 4-[2-(4-tert-butylphenyl)-2-[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidino]-4-(1-methyl-4-piperidyl)piperidino]-4-keto-3-methyl-butyraldehyde Formula: C39H55N5O3 MolecularWeight: 641.8857

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)C(=O)N1CCC(CC1(C2=CC=C(C=C2)C(C)(C)C)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C6CCN(CC6)C

Isomeric SMILES

CC(CC=O)C(=O)N1CCC(CC1(C2=CC=C(C=C2)C(C)(C)C)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C6CCN(CC6)C

InChI

InChI=1S/C39H55N5O3/c1-28(19-25-45)36(46)44-24-16-30(29-14-20-41(5)21-15-29)26-39(44,33-12-10-32(11-13-33)38(2,3)4)42-22-17-34(18-23-42)43-27-31-8-6-7-9-35(31)40-37(43)47/h6-13,25,28-30,34H,14-24,26-27H2,1-5H3,(H,40,47)