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

Systemtic Name: 4-[4-(1-methylpiperidin-4-yl)piperidin-2-yl]-2,4-bis(oxidanylidene)-3-piperidin-1-yl-3-(4H-quinazolin-3-yl)butanal Openeye Name: 4-[4-(1-methyl-4-piperidyl)-2-piperidyl]-2,4-dioxo-3-(1-piperidyl)-3-(4H-quinazolin-3-yl)butanal CAS Name: 4-[4-(1-methyl-4-piperidinyl)-2-piperidinyl]-2,4-dioxo-3-(1-piperidinyl)-3-(4H-quinazolin-3-yl)butanal IUPAC Name: 4-[4-(1-methylpiperidin-4-yl)piperidin-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)-2-piperidyl]-3-piperidino-3-(4H-quinazolin-3-yl)butyraldehyde Formula: C28H39N5O3 MolecularWeight: 493.64096

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2CCNC(C2)C(=O)C(C(=O)C=O)(N3CCCCC3)N4CC5=CC=CC=C5N=C4

Isomeric SMILES

CN1CCC(CC1)C2CCNC(C2)C(=O)C(C(=O)C=O)(N3CCCCC3)N4CC5=CC=CC=C5N=C4

InChI

InChI=1S/C28H39N5O3/c1-31-15-10-21(11-16-31)22-9-12-29-25(17-22)27(36)28(26(35)19-34,32-13-5-2-6-14-32)33-18-23-7-3-4-8-24(23)30-20-33/h3-4,7-8,19-22,25,29H,2,5-6,9-18H2,1H3