3-[1-[2-(dicyclohexylamino)ethyl]piperidin-4-yl]quinazolin-4-one

Systemtic Name: 3-[1-[2-(dicyclohexylamino)ethyl]piperidin-4-yl]quinazolin-4-one Openeye Name: 3-[1-[2-(dicyclohexylamino)ethyl]-4-piperidyl]quinazolin-4-one CAS Name: 3-[1-[2-(dicyclohexylamino)ethyl]-4-piperidinyl]-4-quinazolinone IUPAC Name: 3-[1-[2-(dicyclohexylamino)ethyl]piperidin-4-yl]quinazolin-4-one Traditional Name: 3-[1-[2-(dicyclohexylamino)ethyl]-4-piperidyl]quinazolin-4-one Formula: C27H40N4O MolecularWeight: 436.6327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCN2CCC(CC2)N3C=NC4=CC=CC=C4C3=O)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)N(CCN2CCC(CC2)N3C=NC4=CC=CC=C4C3=O)C5CCCCC5

InChI

InChI=1S/C27H40N4O/c32-27-25-13-7-8-14-26(25)28-21-31(27)24-15-17-29(18-16-24)19-20-30(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h7-8,13-14,21-24H,1-6,9-12,15-20H2