4-[4-(1-methylpiperidin-4-yl)piperazin-2-yl]-2,4-bis(oxidanylidene)-3-piperidin-1-yl-3-(4H-quinazolin-3-yl)butanal

Systemtic Name: 4-[4-(1-methylpiperidin-4-yl)piperazin-2-yl]-2,4-bis(oxidanylidene)-3-piperidin-1-yl-3-(4H-quinazolin-3-yl)butanal Openeye Name: 4-[4-(1-methyl-4-piperidyl)piperazin-2-yl]-2,4-dioxo-3-(1-piperidyl)-3-(4H-quinazolin-3-yl)butanal CAS Name: 4-[4-(1-methyl-4-piperidinyl)-2-piperazinyl]-2,4-dioxo-3-(1-piperidinyl)-3-(4H-quinazolin-3-yl)butanal IUPAC Name: 4-[4-(1-methylpiperidin-4-yl)piperazin-2-yl]-2,4-dioxo-3-piperidin-1-yl-3-(4H-quinazolin-3-yl)butanal Traditional Name: 2,4-diketo-4-[4-(1-methyl-4-piperidyl)piperazin-2-yl]-3-piperidino-3-(4H-quinazolin-3-yl)butyraldehyde Formula: C27H38N6O3 MolecularWeight: 494.62902

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCNC(C2)C(=O)C(C(=O)C=O)(N3CCCCC3)N4CC5=CC=CC=C5N=C4

Isomeric SMILES

CN1CCC(CC1)N2CCNC(C2)C(=O)C(C(=O)C=O)(N3CCCCC3)N4CC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H38N6O3/c1-30-14-9-22(10-15-30)31-16-11-28-24(18-31)26(36)27(25(35)19-34,32-12-5-2-6-13-32)33-17-21-7-3-4-8-23(21)29-20-33/h3-4,7-8,19-20,22,24,28H,2,5-6,9-18H2,1H3