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

Systemtic Name: 1-[(5-methylthiophen-2-yl)-naphthalen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(5-methyl-2-thienyl)-(2-naphthyl)methyl]-1,4-diazepane CAS Name: 1-[(5-methyl-2-thiophenyl)-(2-naphthalenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(5-methyl-2-thienyl)-(2-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=CC3=CC=CC=C3C=C2)N4CCCNCC4

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC3=CC=CC=C3C=C2)N4CCCNCC4

InChI

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