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

Systemtic Name: 4-(azepan-1-yl)-N-[(2E)-2-phenylmethoxyimino-1-piperidin-1-yl-cyclohexyl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[(2E)-2-benzyloxyimino-1-(1-piperidyl)cyclohexyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[(2E)-2-phenylmethoxyimino-1-(1-piperidinyl)cyclohexyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[(2E)-2-phenylmethoxyimino-1-piperidin-1-ylcyclohexyl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[(2E)-2-benzyloximino-1-piperidino-cyclohexyl]amine Formula: C28H40N6O MolecularWeight: 476.6568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3(CCCCC3=NOCC4=CC=CC=C4)N5CCCCC5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC\3(CCCC/C3=N\OCC4=CC=CC=C4)N5CCCCC5

InChI

InChI=1S/C28H40N6O/c1-2-10-20-33(19-9-1)26-16-18-29-27(30-26)31-28(34-21-11-4-12-22-34)17-8-7-15-25(28)32-35-23-24-13-5-3-6-14-24/h3,5-6,13-14,16,18H,1-2,4,7-12,15,17,19-23H2,(H,29,30,31)/b32-25+