4-[(5-chloranyl-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]quinoline

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]quinoline Openeye Name: 4-[(5-chloro-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]quinoline CAS Name: 4-[(5-chloro-2-methoxyphenyl)-(1,4-diazepan-1-yl)methyl]quinoline IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)-(1,4-diazepan-1-yl)methyl]quinoline Traditional Name: 4-[(5-chloro-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]quinoline Formula: C22H24ClN3O MolecularWeight: 381.89846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC=NC3=CC=CC=C23)N4CCCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC=NC3=CC=CC=C23)N4CCCNCC4

InChI

InChI=1S/C22H24ClN3O/c1-27-21-8-7-16(23)15-19(21)22(26-13-4-10-24-12-14-26)18-9-11-25-20-6-3-2-5-17(18)20/h2-3,5-9,11,15,22,24H,4,10,12-14H2,1H3