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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CN2CCC(CC2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CN2CCC(CC2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C29H45N5O/c1-2-3-4-7-10-23-35-27-13-11-25(12-14-27)24-33-21-16-26(17-22-33)31-29-30-18-15-28(32-29)34-19-8-5-6-9-20-34/h11-15,18,26H,2-10,16-17,19-24H2,1H3,(H,30,31,32)