(2-methoxy-4-methylsulfanyl-phenyl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C20H25N3O2S/c1-25-19-13-17(26-2)6-7-18(19)20(24)23-10-4-9-22(11-12-23)15-16-5-3-8-21-14-16/h3,5-8,13-14H,4,9-12,15H2,1-2H3