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

Systemtic Name: 1-[1-benzothiophen-2-yl-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-(5-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-yl-(5-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C20H23N3S MolecularWeight: 337.48172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C20H23N3S/c1-15-7-8-17(22-14-15)20(23-11-4-9-21-10-12-23)19-13-16-5-2-3-6-18(16)24-19/h2-3,5-8,13-14,20-21H,4,9-12H2,1H3