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

Systemtic Name: 1-[1-benzothiophen-2-yl-(5-ethylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-(5-ethyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-(5-ethyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-(5-ethylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-yl-(5-ethyl-2-pyridyl)methyl]-1,4-diazepane Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C21H25N3S/c1-2-16-8-9-18(23-15-16)21(24-12-5-10-22-11-13-24)20-14-17-6-3-4-7-19(17)25-20/h3-4,6-9,14-15,21-22H,2,5,10-13H2,1H3