1-[(5-bromanylthiophen-2-yl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(5-bromo-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(5-bromo-2-thienyl)methyl]-1,4-diazepane Formula: C24H27BrN2O2S MolecularWeight: 487.45238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC=C(S2)Br)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=C(S2)Br)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H27BrN2O2S/c1-28-21-16-19(8-9-20(21)29-17-18-6-3-2-4-7-18)24(22-10-11-23(25)30-22)27-14-5-12-26-13-15-27/h2-4,6-11,16,24,26H,5,12-15,17H2,1H3