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

Systemtic Name: 3-methyl-4-[4-(4-methylpiperazin-1-yl)-2-[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)piperidin-1-yl]-4-oxidanylidene-butanal Openeye Name: 4-[2-(3-isopropoxyphenyl)-4-(4-methylpiperazin-1-yl)-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidyl]-1-piperidyl]-3-methyl-4-oxo-butanal CAS Name: 3-methyl-4-[4-(4-methyl-1-piperazinyl)-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]-2-(3-propan-2-yloxyphenyl)-1-piperidinyl]-4-oxobutanal IUPAC Name: 3-methyl-4-[4-(4-methylpiperazin-1-yl)-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)piperidin-1-yl]-4-oxobutanal Traditional Name: 4-[2-(3-isopropoxyphenyl)-2-[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidino]-4-(4-methylpiperazino)piperidino]-4-keto-3-methyl-butyraldehyde Formula: C37H52N6O4 MolecularWeight: 644.84658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2(CC(CCN2C(=O)C(C)CC=O)N3CCN(CC3)C)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2(CC(CCN2C(=O)C(C)CC=O)N3CCN(CC3)C)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O

InChI

InChI=1S/C37H52N6O4/c1-27(2)47-33-10-7-9-30(24-33)37(41-16-12-31(13-17-41)42-26-29-8-5-6-11-34(29)38-36(42)46)25-32(40-21-19-39(4)20-22-40)14-18-43(37)35(45)28(3)15-23-44/h5-11,23-24,27-28,31-32H,12-22,25-26H2,1-4H3,(H,38,46)