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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(3-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(3-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(3-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-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=CSC3=CC=CC=C32)N4CCCNCC4

Isomeric SMILES

CC1=C(N=CC=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4

InChI

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