2-azanyl-3-(3,4-dimethoxyphenyl)carbonyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile

Systemtic Name: 2-azanyl-3-(3,4-dimethoxyphenyl)carbonyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile Openeye Name: 2-amino-3-(3,4-dimethoxybenzoyl)-6,7-dihydro-5H-pyrrolizine-1-carbonitrile CAS Name: 2-amino-3-[(3,4-dimethoxyphenyl)-oxomethyl]-6,7-dihydro-5H-pyrrolizine-1-carbonitrile IUPAC Name: 2-amino-3-(3,4-dimethoxybenzoyl)-6,7-dihydro-5H-pyrrolizine-1-carbonitrile Traditional Name: 2-amino-3-veratroyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=C(C(=C3N2CCC3)C#N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=C(C(=C3N2CCC3)C#N)N)OC

InChI

InChI=1S/C17H17N3O3/c1-22-13-6-5-10(8-14(13)23-2)17(21)16-15(19)11(9-18)12-4-3-7-20(12)16/h5-6,8H,3-4,7,19H2,1-2H3