N-(2,5-dimethylphenyl)-N-ethyl-1-morpholin-4-yl-isoquinoline-4-carboxamide

Systemtic Name: N-(2,5-dimethylphenyl)-N-ethyl-1-morpholin-4-yl-isoquinoline-4-carboxamide Openeye Name: N-(2,5-dimethylphenyl)-N-ethyl-1-morpholino-isoquinoline-4-carboxamide CAS Name: N-(2,5-dimethylphenyl)-N-ethyl-1-(4-morpholinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(2,5-dimethylphenyl)-N-ethyl-1-morpholin-4-ylisoquinoline-4-carboxamide Traditional Name: N-(2,5-dimethylphenyl)-N-ethyl-1-morpholino-isoquinoline-4-carboxamide Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=CC(=C1)C)C)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCOCC4

Isomeric SMILES

CCN(C1=C(C=CC(=C1)C)C)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCOCC4

InChI

InChI=1S/C24H27N3O2/c1-4-27(22-15-17(2)9-10-18(22)3)24(28)21-16-25-23(26-11-13-29-14-12-26)20-8-6-5-7-19(20)21/h5-10,15-16H,4,11-14H2,1-3H3