6-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]isoquinoline

Systemtic Name: 6-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]isoquinoline Openeye Name: 6-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]isoquinoline CAS Name: 6-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]isoquinoline IUPAC Name: 6-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]isoquinoline Traditional Name: 6-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]isoquinoline Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O2/c1-7-23-9-11-25(10-1)22(18-4-5-20-21(13-18)27-15-26-20)17-2-3-19-14-24-8-6-16(19)12-17/h2-6,8,12-14,22-23H,1,7,9-11,15H2