4-(azepan-1-yl)-3-[[3,4-bis(phenylmethoxy)phenyl]methyl]-N-piperidin-3-yl-4H-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-3-[[3,4-bis(phenylmethoxy)phenyl]methyl]-N-piperidin-3-yl-4H-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-3-[(3,4-dibenzyloxyphenyl)methyl]-N-(3-piperidyl)-4H-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-3-[[3,4-bis(phenylmethoxy)phenyl]methyl]-N-(3-piperidinyl)-4H-pyrimidin-2-amine IUPAC Name: 4-(azepan-1-yl)-3-[[3,4-bis(phenylmethoxy)phenyl]methyl]-N-piperidin-3-yl-4H-pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)-3-(3,4-dibenzoxybenzyl)-4H-pyrimidin-2-yl]-(3-piperidyl)amine Formula: C36H45N5O2 MolecularWeight: 579.7748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2C=CN=C(N2CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)NC6CCCNC6

Isomeric SMILES

C1CCCN(CC1)C2C=CN=C(N2CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)NC6CCCNC6

InChI

InChI=1S/C36H45N5O2/c1-2-10-23-40(22-9-1)35-19-21-38-36(39-32-16-11-20-37-25-32)41(35)26-31-17-18-33(42-27-29-12-5-3-6-13-29)34(24-31)43-28-30-14-7-4-8-15-30/h3-8,12-15,17-19,21,24,32,35,37H,1-2,9-11,16,20,22-23,25-28H2,(H,38,39)