3-methyl-4-oxidanylidene-4-[2-[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-4-piperidin-1-yl-2-(3-propan-2-yloxyphenyl)piperidin-1-yl]butanal

Systemtic Name: 3-methyl-4-oxidanylidene-4-[2-[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-4-piperidin-1-yl-2-(3-propan-2-yloxyphenyl)piperidin-1-yl]butanal Openeye Name: 4-[2-(3-isopropoxyphenyl)-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidyl]-4-(1-piperidyl)-1-piperidyl]-3-methyl-4-oxo-butanal CAS Name: 3-methyl-4-oxo-4-[2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]-4-(1-piperidinyl)-2-(3-propan-2-yloxyphenyl)-1-piperidinyl]butanal IUPAC Name: 3-methyl-4-oxo-4-[2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-4-piperidin-1-yl-2-(3-propan-2-yloxyphenyl)piperidin-1-yl]butanal Traditional Name: 4-[2-(3-isopropoxyphenyl)-2-[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidino]-4-piperidino-piperidino]-4-keto-3-methyl-butyraldehyde Formula: C37H51N5O4 MolecularWeight: 629.83194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2(CC(CCN2C(=O)C(C)CC=O)N3CCCCC3)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2(CC(CCN2C(=O)C(C)CC=O)N3CCCCC3)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O

InChI

InChI=1S/C37H51N5O4/c1-27(2)46-33-12-9-11-30(24-33)37(25-32(39-18-7-4-8-19-39)16-22-42(37)35(44)28(3)17-23-43)40-20-14-31(15-21-40)41-26-29-10-5-6-13-34(29)38-36(41)45/h5-6,9-13,23-24,27-28,31-32H,4,7-8,14-22,25-26H2,1-3H3,(H,38,45)