2-(3-chloranyl-4-oxidanyl-phenyl)-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(3-chloranyl-4-oxidanyl-phenyl)-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3-chloro-4-hydroxy-phenyl)-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3-chloro-4-hydroxyphenyl)-1-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3-chloro-4-hydroxyphenyl)-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3-chloro-4-hydroxy-phenyl)-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C19H22ClN3O2 MolecularWeight: 359.84988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC(=C(C=C2)O)Cl)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC(=C(C=C2)O)Cl)CC3=CN=CC=C3

InChI

InChI=1S/C19H22ClN3O2/c20-17-11-15(4-5-18(17)24)12-19(25)23-8-2-7-22(9-10-23)14-16-3-1-6-21-13-16/h1,3-6,11,13,24H,2,7-10,12,14H2