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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-methoxyphenyl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-methoxyphenyl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-(1-p-anisyl-3-piperidyl)amine Formula: C23H33N5O MolecularWeight: 395.54102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C23H33N5O/c1-29-21-10-8-19(9-11-21)17-27-14-6-7-20(18-27)25-23-24-13-12-22(26-23)28-15-4-2-3-5-16-28/h8-13,20H,2-7,14-18H2,1H3,(H,24,25,26)