6-methoxy-4-phenyl-1-pyrrolidin-1-yl-isoquinoline-3-carbonitrile

Systemtic Name: 6-methoxy-4-phenyl-1-pyrrolidin-1-yl-isoquinoline-3-carbonitrile Openeye Name: 6-methoxy-4-phenyl-1-pyrrolidin-1-yl-isoquinoline-3-carbonitrile CAS Name: 6-methoxy-4-phenyl-1-(1-pyrrolidinyl)-3-isoquinolinecarbonitrile IUPAC Name: 6-methoxy-4-phenyl-1-pyrrolidin-1-ylisoquinoline-3-carbonitrile Traditional Name: 6-methoxy-4-phenyl-1-pyrrolidino-isoquinoline-3-carbonitrile Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC=CC=C3)C#N)N4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC=CC=C3)C#N)N4CCCC4

InChI

InChI=1S/C21H19N3O/c1-25-16-9-10-17-18(13-16)20(15-7-3-2-4-8-15)19(14-22)23-21(17)24-11-5-6-12-24/h2-4,7-10,13H,5-6,11-12H2,1H3