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

Systemtic Name: (2-iodanyl-3-methyl-phenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-iodo-3-methyl-phenyl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-iodo-3-methylphenyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-iodo-3-methylphenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-iodo-3-methyl-phenyl)-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C18H21IN2OS MolecularWeight: 440.34161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C18H21IN2OS/c1-14-4-2-5-16(17(14)19)18(22)21-8-3-7-20(9-10-21)12-15-6-11-23-13-15/h2,4-6,11,13H,3,7-10,12H2,1H3