6-[(5-chloranyl-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline

Systemtic Name: 6-[(5-chloranyl-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline Openeye Name: 6-[(5-chloro-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline CAS Name: 6-[(5-chloro-2-methoxyphenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline IUPAC Name: 6-[(5-chloro-2-methoxyphenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline Traditional Name: 6-[(5-chloro-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline Formula: C22H24ClN3O MolecularWeight: 381.89846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4

InChI

InChI=1S/C22H24ClN3O/c1-27-21-6-5-19(23)14-20(21)22(26-11-2-8-24-10-12-26)17-3-4-18-15-25-9-7-16(18)13-17/h3-7,9,13-15,22,24H,2,8,10-12H2,1H3