6,7-dimethoxy-1-[3-(4-morpholin-4-ylphenyl)piperazin-1-yl]isoquinoline-4-carbonitrile

Systemtic Name: 6,7-dimethoxy-1-[3-(4-morpholin-4-ylphenyl)piperazin-1-yl]isoquinoline-4-carbonitrile Openeye Name: 6,7-dimethoxy-1-[3-(4-morpholinophenyl)piperazin-1-yl]isoquinoline-4-carbonitrile CAS Name: 6,7-dimethoxy-1-[3-[4-(4-morpholinyl)phenyl]-1-piperazinyl]-4-isoquinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-1-[3-(4-morpholin-4-ylphenyl)piperazin-1-yl]isoquinoline-4-carbonitrile Traditional Name: 6,7-dimethoxy-1-[3-(4-morpholinophenyl)piperazino]isoquinoline-4-carbonitrile Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2N3CCNC(C3)C4=CC=C(C=C4)N5CCOCC5)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2N3CCNC(C3)C4=CC=C(C=C4)N5CCOCC5)C#N)OC

InChI

InChI=1S/C26H29N5O3/c1-32-24-13-21-19(15-27)16-29-26(22(21)14-25(24)33-2)31-8-7-28-23(17-31)18-3-5-20(6-4-18)30-9-11-34-12-10-30/h3-6,13-14,16,23,28H,7-12,17H2,1-2H3