(5-chloranylthiophen-2-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-chloranylthiophen-2-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-chloro-2-thienyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-chloro-2-thiophenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-chlorothiophen-2-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (5-chloro-2-thienyl)-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C18H21ClN2OS MolecularWeight: 348.89014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H21ClN2OS/c1-14-3-5-15(6-4-14)13-20-9-2-10-21(12-11-20)18(22)16-7-8-17(19)23-16/h3-8H,2,9-13H2,1H3