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

Systemtic Name: 1-benzothiophen-2-yl-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-(3,4-dimethylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H26N2OS/c1-17-8-9-19(14-18(17)2)16-24-10-5-11-25(13-12-24)23(26)22-15-20-6-3-4-7-21(20)27-22/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3