2-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]quinoline

Systemtic Name: 2-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]quinoline Openeye Name: 2-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]quinoline CAS Name: 2-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]quinoline IUPAC Name: 2-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]quinoline Traditional Name: 2-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]quinoline Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H23N3O2/c1-2-5-18-16(4-1)6-8-19(24-18)22(25-12-3-10-23-11-13-25)17-7-9-20-21(14-17)27-15-26-20/h1-2,4-9,14,22-23H,3,10-13,15H2