azepan-1-yl-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Systemtic Name: azepan-1-yl-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Openeye Name: azepan-1-yl-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone CAS Name: 1-azepanyl-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone IUPAC Name: azepan-1-yl-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Traditional Name: azepan-1-yl-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone Formula: C19H24N2OS MolecularWeight: 328.47166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C19H24N2OS/c22-18(20-11-5-1-2-6-12-20)17-15-9-3-4-10-16(15)23-19(17)21-13-7-8-14-21/h7-8,13-14H,1-6,9-12H2