6-[1,4-diazepan-1-yl-(3-methoxyphenyl)methyl]isoquinoline

Systemtic Name: 6-[1,4-diazepan-1-yl-(3-methoxyphenyl)methyl]isoquinoline Openeye Name: 6-[1,4-diazepan-1-yl-(3-methoxyphenyl)methyl]isoquinoline CAS Name: 6-[1,4-diazepan-1-yl-(3-methoxyphenyl)methyl]isoquinoline IUPAC Name: 6-[1,4-diazepan-1-yl-(3-methoxyphenyl)methyl]isoquinoline Traditional Name: 6-[1,4-diazepan-1-yl-(3-methoxyphenyl)methyl]isoquinoline Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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