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

Systemtic Name: 1-[(5-methylpyridin-2-yl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(5-methyl-2-pyridyl)-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-methyl-2-pyridinyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-methylpyridin-2-yl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(5-methyl-2-pyridyl)-(3-thienyl)methyl]-1,4-diazepane Formula: C16H21N3S MolecularWeight: 287.42304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CSC=C2)N3CCCNCC3

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CSC=C2)N3CCCNCC3

InChI

InChI=1S/C16H21N3S/c1-13-3-4-15(18-11-13)16(14-5-10-20-12-14)19-8-2-6-17-7-9-19/h3-5,10-12,16-17H,2,6-9H2,1H3