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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-(3-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-(3-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-(3-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-yl-(3-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C20H23N3S MolecularWeight: 337.48172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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