2-azanyl-3-(3,4-dimethoxyphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile

Systemtic Name: 2-azanyl-3-(3,4-dimethoxyphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile Openeye Name: 2-amino-3-(3,4-dimethoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile CAS Name: 2-amino-3-[(3,4-dimethoxyphenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile IUPAC Name: 2-amino-3-(3,4-dimethoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile Traditional Name: 2-amino-3-veratroyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-1-carbonitrile Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=C(C(=C3N2CCCCC3)C#N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=C(C(=C3N2CCCCC3)C#N)N)OC

InChI

InChI=1S/C19H21N3O3/c1-24-15-8-7-12(10-16(15)25-2)19(23)18-17(21)13(11-20)14-6-4-3-5-9-22(14)18/h7-8,10H,3-6,9,21H2,1-2H3