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

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-ethyl-2-thienyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(5-ethyl-2-thiophenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-ethylthiophen-2-yl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-ethyl-2-thienyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C18H25N3S MolecularWeight: 315.4762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3S/c1-3-15-6-8-17(22-15)18(16-7-5-14(2)13-20-16)21-11-4-9-19-10-12-21/h5-8,13,18-19H,3-4,9-12H2,1-2H3