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

Systemtic Name: 4-(azepan-1-yl)-3-[2-methyl-3-(4-propan-2-ylphenyl)propyl]-N-piperidin-3-yl-4H-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-3-[3-(4-isopropylphenyl)-2-methyl-propyl]-N-(3-piperidyl)-4H-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-3-[2-methyl-3-(4-propan-2-ylphenyl)propyl]-N-(3-piperidinyl)-4H-pyrimidin-2-amine IUPAC Name: 4-(azepan-1-yl)-3-[2-methyl-3-(4-propan-2-ylphenyl)propyl]-N-piperidin-3-yl-4H-pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)-3-(2-methyl-3-p-cumenyl-propyl)-4H-pyrimidin-2-yl]-(3-piperidyl)amine Formula: C28H45N5 MolecularWeight: 451.6904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45N5/c1-22(2)25-12-10-24(11-13-25)19-23(3)21-33-27(32-17-6-4-5-7-18-32)14-16-30-28(33)31-26-9-8-15-29-20-26/h10-14,16,22-23,26-27,29H,4-9,15,17-21H2,1-3H3,(H,30,31)