2-(3,4-dimethylphenyl)-N-(3-methoxypropyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-(3-methoxypropyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-(3-methoxypropyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-(3-methoxypropyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-(3-methoxypropyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-1-keto-N-(3-methoxypropyl)isoquinoline-4-carboxamide Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCCOC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCCOC)C

InChI

InChI=1S/C22H24N2O3/c1-15-9-10-17(13-16(15)2)24-14-20(21(25)23-11-6-12-27-3)18-7-4-5-8-19(18)22(24)26/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,23,25)