2-azanyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5-dimethyl-pyrrole-3-carbonitrile

Systemtic Name: 2-azanyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5-dimethyl-pyrrole-3-carbonitrile Openeye Name: 2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5-dimethyl-pyrrole-3-carbonitrile CAS Name: 2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5-dimethyl-3-pyrrolecarbonitrile IUPAC Name: 2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5-dimethylpyrrole-3-carbonitrile Traditional Name: 2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5-dimethyl-pyrrole-3-carbonitrile Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)N)C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)N)C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C16H17N3O2/c1-10-11(2)19(16(18)13(10)9-17)12-4-5-14-15(8-12)21-7-3-6-20-14/h4-5,8H,3,6-7,18H2,1-2H3