1-methyl-2-(2-methylpropoxymethyl)-3-(2-phenylbut-3-yn-2-yloxy)azepine

Systemtic Name: 1-methyl-2-(2-methylpropoxymethyl)-3-(2-phenylbut-3-yn-2-yloxy)azepine Openeye Name: 2-(isobutoxymethyl)-1-methyl-3-(1-methyl-1-phenyl-prop-2-ynoxy)azepine CAS Name: 1-methyl-2-(2-methylpropoxymethyl)-3-(2-phenylbut-3-yn-2-yloxy)azepine IUPAC Name: 1-methyl-2-(2-methylpropoxymethyl)-3-(2-phenylbut-3-yn-2-yloxy)azepine Traditional Name: 2-(isobutoxymethyl)-1-methyl-3-(1-methyl-1-phenyl-prop-2-ynoxy)azepine Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC1=C(C=CC=CN1C)OC(C)(C#C)C2=CC=CC=C2

Isomeric SMILES

CC(C)COCC1=C(C=CC=CN1C)OC(C)(C#C)C2=CC=CC=C2

InChI

InChI=1S/C22H27NO2/c1-6-22(4,19-12-8-7-9-13-19)25-21-14-10-11-15-23(5)20(21)17-24-16-18(2)3/h1,7-15,18H,16-17H2,2-5H3