1-[(5-chloranylthiophen-2-yl)-(3-methoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(3-methoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-2-thienyl)-(3-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-thiophenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-2-thienyl)-(3-methoxyphenyl)methyl]-1,4-diazepane Formula: C17H21ClN2OS MolecularWeight: 336.87944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CC=C(S2)Cl)N3CCCNCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC=C(S2)Cl)N3CCCNCC3

InChI

InChI=1S/C17H21ClN2OS/c1-21-14-5-2-4-13(12-14)17(15-6-7-16(18)22-15)20-10-3-8-19-9-11-20/h2,4-7,12,17,19H,3,8-11H2,1H3