[3-[6-(cyclohexylamino)pyrimidin-4-yl]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

Systemtic Name: [3-[6-(cyclohexylamino)pyrimidin-4-yl]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Openeye Name: [3-[6-(cyclohexylamino)pyrimidin-4-yl]phenyl]-[4-(1-piperidyl)-1-piperidyl]methanone CAS Name: [3-[6-(cyclohexylamino)-4-pyrimidinyl]phenyl]-[4-(1-piperidinyl)-1-piperidinyl]methanone IUPAC Name: [3-[6-(cyclohexylamino)pyrimidin-4-yl]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Traditional Name: [3-[6-(cyclohexylamino)pyrimidin-4-yl]phenyl]-(4-piperidinopiperidino)methanone Formula: C27H37N5O MolecularWeight: 447.61558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC=NC(=C2)C3=CC(=CC=C3)C(=O)N4CCC(CC4)N5CCCCC5

Isomeric SMILES

C1CCC(CC1)NC2=NC=NC(=C2)C3=CC(=CC=C3)C(=O)N4CCC(CC4)N5CCCCC5

InChI

InChI=1S/C27H37N5O/c33-27(32-16-12-24(13-17-32)31-14-5-2-6-15-31)22-9-7-8-21(18-22)25-19-26(29-20-28-25)30-23-10-3-1-4-11-23/h7-9,18-20,23-24H,1-6,10-17H2,(H,28,29,30)