1-[(5-ethylpyridin-2-yl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-ethyl-2-pyridyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-ethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-ethyl-2-pyridyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCNCC3

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCNCC3

InChI

InChI=1S/C22H31N3O3/c1-5-16-7-8-18(24-15-16)21(25-11-6-9-23-10-12-25)17-13-19(26-2)22(28-4)20(14-17)27-3/h7-8,13-15,21,23H,5-6,9-12H2,1-4H3