N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Systemtic Name: N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Openeye Name: N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine CAS Name: N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine IUPAC Name: N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amine Formula: C14H18N4O2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)CNC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=NN=C(N1C)CNC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C14H18N4O2/c1-10-16-17-14(18(10)2)9-15-11-4-5-12-13(8-11)20-7-3-6-19-12/h4-5,8,15H,3,6-7,9H2,1-2H3