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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN1)C2=NC=CC(N2CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N6CCCCCC6

Isomeric SMILES

CN(C1CCCN1)C2=NC=CC(N2CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N6CCCCCC6

InChI

InChI=1S/C36H45N5O2/c1-39(34-17-12-21-37-34)36-38-22-20-35(40-23-10-2-3-11-24-40)41(36)26-31-18-19-32(42-27-29-13-6-4-7-14-29)33(25-31)43-28-30-15-8-5-9-16-30/h4-9,13-16,18-20,22,25,34-35,37H,2-3,10-12,17,21,23-24,26-28H2,1H3