1-[(3-methylpyridin-2-yl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-methylpyridin-2-yl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-methyl-2-pyridyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-methyl-2-pyridinyl)-(5-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-methylpyridin-2-yl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3-methyl-2-pyridyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C17H23N3S MolecularWeight: 301.44962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(C2=CC=C(S2)C)N3CCCNCC3

Isomeric SMILES

CC1=C(N=CC=C1)C(C2=CC=C(S2)C)N3CCCNCC3

InChI

InChI=1S/C17H23N3S/c1-13-5-3-9-19-16(13)17(15-7-6-14(2)21-15)20-11-4-8-18-10-12-20/h3,5-7,9,17-18H,4,8,10-12H2,1-2H3