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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCNC(C2)C(=O)C(C(=O)C=O)(N3CCCCC3)N4CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CCCN(CC1)C2CCNC(C2)C(=O)C(C(=O)C=O)(N3CCCCC3)N4CC5=CC=CC=C5N=C4

InChI

InChI=1S/C28H39N5O3/c34-20-26(35)28(32-16-8-3-9-17-32,33-19-22-10-4-5-11-24(22)30-21-33)27(36)25-18-23(12-13-29-25)31-14-6-1-2-7-15-31/h4-5,10-11,20-21,23,25,29H,1-3,6-9,12-19H2