(3-chloranyl-1-benzothiophen-2-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-(4-p-anisyl-1,4-diazepan-1-yl)methanone Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H23ClN2O2S/c1-27-17-9-7-16(8-10-17)15-24-11-4-12-25(14-13-24)22(26)21-20(23)18-5-2-3-6-19(18)28-21/h2-3,5-10H,4,11-15H2,1H3