6-[1,4-diazepan-1-yl-(2-methoxyphenyl)methyl]isoquinoline

Systemtic Name: 6-[1,4-diazepan-1-yl-(2-methoxyphenyl)methyl]isoquinoline Openeye Name: 6-[1,4-diazepan-1-yl-(2-methoxyphenyl)methyl]isoquinoline CAS Name: 6-[1,4-diazepan-1-yl-(2-methoxyphenyl)methyl]isoquinoline IUPAC Name: 6-[1,4-diazepan-1-yl-(2-methoxyphenyl)methyl]isoquinoline Traditional Name: 6-[1,4-diazepan-1-yl-(2-methoxyphenyl)methyl]isoquinoline Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4

InChI

InChI=1S/C22H25N3O/c1-26-21-6-3-2-5-20(21)22(25-13-4-10-23-12-14-25)18-7-8-19-16-24-11-9-17(19)15-18/h2-3,5-9,11,15-16,22-23H,4,10,12-14H2,1H3