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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-tert-butylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-tert-butylphenyl)methyl]-4-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-tert-butylphenyl)methyl]-4-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-tert-butylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-tert-butylbenzyl)-4-piperidyl]amine Formula: C26H39N5 MolecularWeight: 421.62136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N5/c1-26(2,3)22-10-8-21(9-11-22)20-30-18-13-23(14-19-30)28-25-27-15-12-24(29-25)31-16-6-4-5-7-17-31/h8-12,15,23H,4-7,13-14,16-20H2,1-3H3,(H,27,28,29)