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

Systemtic Name: 1-[1-benzothiophen-2-yl(pyridin-4-yl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl(4-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl(pyridin-4-yl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl(pyridin-4-yl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-yl(4-pyridyl)methyl]-1,4-diazepane Formula: C19H21N3S MolecularWeight: 323.45514

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=NC=C2)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=NC=C2)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N3S/c1-2-5-17-16(4-1)14-18(23-17)19(15-6-9-21-10-7-15)22-12-3-8-20-11-13-22/h1-2,4-7,9-10,14,19-20H,3,8,11-13H2