2-(3-methoxy-4-prop-2-ynoxy-phenyl)-1,3-bis(phenylmethyl)-1,3-diazinane

Systemtic Name: 2-(3-methoxy-4-prop-2-ynoxy-phenyl)-1,3-bis(phenylmethyl)-1,3-diazinane Openeye Name: 1,3-dibenzyl-2-(3-methoxy-4-prop-2-ynoxy-phenyl)hexahydropyrimidine CAS Name: 2-(3-methoxy-4-prop-2-ynoxyphenyl)-1,3-bis(phenylmethyl)-1,3-diazinane IUPAC Name: 1,3-dibenzyl-2-(3-methoxy-4-prop-2-ynoxyphenyl)-1,3-diazinane Traditional Name: 1,3-dibenzyl-2-(3-methoxy-4-propargyloxy-phenyl)hexahydropyrimidine Formula: C28H30N2O2 MolecularWeight: 426.55

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2N(CCCN2CC3=CC=CC=C3)CC4=CC=CC=C4)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C2N(CCCN2CC3=CC=CC=C3)CC4=CC=CC=C4)OCC#C

InChI

InChI=1S/C28H30N2O2/c1-3-19-32-26-16-15-25(20-27(26)31-2)28-29(21-23-11-6-4-7-12-23)17-10-18-30(28)22-24-13-8-5-9-14-24/h1,4-9,11-16,20,28H,10,17-19,21-22H2,2H3