4-(azepan-1-yl)-N-[1-[(3-octoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(3-octoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(3-octoxyphenyl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(3-octoxyphenyl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(3-octoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(3-octoxybenzyl)-3-piperidyl]amine Formula: C30H47N5O MolecularWeight: 493.72708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC(=C1)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CCCCCCCCOC1=CC=CC(=C1)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

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