4-(azepan-1-yl)-N-[(2E)-2-phenoxyimino-1-piperidin-1-yl-cyclohexyl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[(2E)-2-phenoxyimino-1-piperidin-1-yl-cyclohexyl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[(2E)-2-phenoxyimino-1-(1-piperidyl)cyclohexyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[(2E)-2-phenoxyimino-1-(1-piperidinyl)cyclohexyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[(2E)-2-phenoxyimino-1-piperidin-1-ylcyclohexyl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[(2E)-2-phenyloximino-1-piperidino-cyclohexyl]amine Formula: C27H38N6O MolecularWeight: 462.63022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3(CCCCC3=NOC4=CC=CC=C4)N5CCCCC5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC\3(CCCC/C3=N\OC4=CC=CC=C4)N5CCCCC5

InChI

InChI=1S/C27H38N6O/c1-2-10-20-32(19-9-1)25-16-18-28-26(29-25)30-27(33-21-11-4-12-22-33)17-8-7-15-24(27)31-34-23-13-5-3-6-14-23/h3,5-6,13-14,16,18H,1-2,4,7-12,15,17,19-22H2,(H,28,29,30)/b31-24+