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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC(C)CN2C(C=CN=C2NC3CCNCC3)N4CCCCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC(C)CN2C(C=CN=C2NC3CCNCC3)N4CCCCCC4

InChI

InChI=1S/C28H45N5/c1-22(2)25-10-8-24(9-11-25)20-23(3)21-33-27(32-18-6-4-5-7-19-32)14-17-30-28(33)31-26-12-15-29-16-13-26/h8-11,14,17,22-23,26-27,29H,4-7,12-13,15-16,18-21H2,1-3H3,(H,30,31)