(4-chloranyl-2-methyl-phenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-chloranyl-2-methyl-phenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-chloro-2-methyl-phenyl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-chloro-2-methylphenyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-chloro-2-methylphenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-chloro-2-methyl-phenyl)-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C18H21ClN2OS MolecularWeight: 348.89014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)N2CCCN(CC2)CC3=CSC=C3

InChI

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