2-[2-azanyl-1-(1,3-benzodioxol-5-yl)propyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: 2-[2-azanyl-1-(1,3-benzodioxol-5-yl)propyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: 2-[2-amino-1-(1,3-benzodioxol-5-yl)propyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: 2-[2-amino-1-(1,3-benzodioxol-5-yl)propyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: 2-[2-amino-1-(1,3-benzodioxol-5-yl)propyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [2-[2-amino-1-(1,3-benzodioxol-5-yl)propyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]amine Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1CCCCC(=N1)N)C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CC(C(C1CCCCC(=N1)N)C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C16H23N3O2/c1-10(17)16(12-4-2-3-5-15(18)19-12)11-6-7-13-14(8-11)21-9-20-13/h6-8,10,12,16H,2-5,9,17H2,1H3,(H2,18,19)