1-[(5-methylthiophen-2-yl)-naphthalen-1-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(5-methylthiophen-2-yl)-naphthalen-1-yl-methyl]-1,4-diazepane Openeye Name: 1-[(5-methyl-2-thienyl)-(1-naphthyl)methyl]-1,4-diazepane CAS Name: 1-[(5-methyl-2-thiophenyl)-(1-naphthalenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-methylthiophen-2-yl)-naphthalen-1-ylmethyl]-1,4-diazepane Traditional Name: 1-[(5-methyl-2-thienyl)-(1-naphthyl)methyl]-1,4-diazepane Formula: C21H24N2S MolecularWeight: 336.49366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC=CC3=CC=CC=C32)N4CCCNCC4

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC=CC3=CC=CC=C32)N4CCCNCC4

InChI

InChI=1S/C21H24N2S/c1-16-10-11-20(24-16)21(23-14-5-12-22-13-15-23)19-9-4-7-17-6-2-3-8-18(17)19/h2-4,6-11,21-22H,5,12-15H2,1H3