4-(azepan-1-yl)-3-[3-(4-tert-butylphenyl)-2-methyl-propyl]-N-piperidin-3-yl-4H-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-3-[3-(4-tert-butylphenyl)-2-methyl-propyl]-N-piperidin-3-yl-4H-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-3-[3-(4-tert-butylphenyl)-2-methyl-propyl]-N-(3-piperidyl)-4H-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-3-[3-(4-tert-butylphenyl)-2-methylpropyl]-N-(3-piperidinyl)-4H-pyrimidin-2-amine IUPAC Name: 4-(azepan-1-yl)-3-[3-(4-tert-butylphenyl)-2-methylpropyl]-N-piperidin-3-yl-4H-pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)-3-[3-(4-tert-butylphenyl)-2-methyl-propyl]-4H-pyrimidin-2-yl]-(3-piperidyl)amine Formula: C29H47N5 MolecularWeight: 465.71698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(C)(C)C)CN2C(C=CN=C2NC3CCCNC3)N4CCCCCC4

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(C)(C)C)CN2C(C=CN=C2NC3CCCNC3)N4CCCCCC4

InChI

InChI=1S/C29H47N5/c1-23(20-24-11-13-25(14-12-24)29(2,3)4)22-34-27(33-18-7-5-6-8-19-33)15-17-31-28(34)32-26-10-9-16-30-21-26/h11-15,17,23,26-27,30H,5-10,16,18-22H2,1-4H3,(H,31,32)