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

Systemtic Name: 4-(azepan-1-yl)-N-[(2E)-1-piperidin-1-yl-2-(triphenylmethyl)oxyimino-cyclohexyl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[(2E)-1-(1-piperidyl)-2-trityloxyimino-cyclohexyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[(2E)-1-(1-piperidinyl)-2-(triphenylmethyl)oxyiminocyclohexyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[(2E)-1-piperidin-1-yl-2-trityloxyiminocyclohexyl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[(2E)-1-piperidino-2-trityloximino-cyclohexyl]amine Formula: C40H48N6O MolecularWeight: 628.84872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3(CCCCC3=NOC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)N7CCCCC7

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC\3(CCCC/C3=N\OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)N7CCCCC7

InChI

InChI=1S/C40H48N6O/c1-2-16-30-45(29-15-1)37-26-28-41-38(42-37)43-39(46-31-17-6-18-32-46)27-14-13-25-36(39)44-47-40(33-19-7-3-8-20-33,34-21-9-4-10-22-34)35-23-11-5-12-24-35/h3-5,7-12,19-24,26,28H,1-2,6,13-18,25,27,29-32H2,(H,41,42,43)/b44-36+