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

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-ethyl-2-thienyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-ethyl-2-thiophenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-ethylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-ethyl-2-thienyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCNCC3

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCNCC3

InChI

InChI=1S/C21H30N2O3S/c1-5-16-7-8-19(27-16)20(23-11-6-9-22-10-12-23)15-13-17(24-2)21(26-4)18(14-15)25-3/h7-8,13-14,20,22H,5-6,9-12H2,1-4H3