1-[(5-chloranyl-2-methoxy-phenyl)-pyridin-4-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-pyridin-4-yl-methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(4-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-methoxyphenyl)-pyridin-4-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-pyridin-4-ylmethyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(4-pyridyl)methyl]-1,4-diazepane Formula: C18H22ClN3O MolecularWeight: 331.83978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O/c1-23-17-4-3-15(19)13-16(17)18(14-5-8-21-9-6-14)22-11-2-7-20-10-12-22/h3-6,8-9,13,18,20H,2,7,10-12H2,1H3