(2-methylcyclohexa-2,5-dien-1-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methylcyclohexa-2,5-dien-1-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-methylcyclohexa-2,5-dien-1-yl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-methyl-1-cyclohexa-2,5-dienyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-methylcyclohexa-2,5-dien-1-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-methylcyclohexa-2,5-dien-1-yl)-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C18H24N2OS MolecularWeight: 316.46096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC=CC1C(=O)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC1=CCC=CC1C(=O)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C18H24N2OS/c1-15-5-2-3-6-17(15)18(21)20-9-4-8-19(10-11-20)13-16-7-12-22-14-16/h3,5-7,12,14,17H,2,4,8-11,13H2,1H3