4-(azepan-1-yl)-N-[1-[(4-octoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-octoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-octoxyphenyl)methyl]-4-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-octoxyphenyl)methyl]-4-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-octoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-octoxybenzyl)-4-piperidyl]amine Formula: C30H47N5O MolecularWeight: 493.72708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)CN2CCC(CC2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)CN2CCC(CC2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C30H47N5O/c1-2-3-4-5-8-11-24-36-28-14-12-26(13-15-28)25-34-22-17-27(18-23-34)32-30-31-19-16-29(33-30)35-20-9-6-7-10-21-35/h12-16,19,27H,2-11,17-18,20-25H2,1H3,(H,31,32,33)