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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-heptoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-heptoxyphenyl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-heptoxyphenyl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-heptoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-heptoxybenzyl)-3-piperidyl]amine Formula: C29H45N5O MolecularWeight: 479.7005

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C29H45N5O/c1-2-3-4-7-10-22-35-27-15-13-25(14-16-27)23-33-19-11-12-26(24-33)31-29-30-18-17-28(32-29)34-20-8-5-6-9-21-34/h13-18,26H,2-12,19-24H2,1H3,(H,30,31,32)