2-[2-(3-imidazol-1-ylpropylamino)ethyl]-6-methoxy-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile

Systemtic Name: 2-[2-(3-imidazol-1-ylpropylamino)ethyl]-6-methoxy-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 2-[2-(3-imidazol-1-ylpropylamino)ethyl]-6-methoxy-1-oxo-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 2-[2-[3-(1-imidazolyl)propylamino]ethyl]-6-methoxy-1-oxo-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 2-[2-(3-imidazol-1-ylpropylamino)ethyl]-6-methoxy-1-oxo-4-phenylisoquinoline-3-carbonitrile Traditional Name: 2-[2-(3-imidazol-1-ylpropylamino)ethyl]-1-keto-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)CCNCCCN4C=CN=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)CCNCCCN4C=CN=C4

InChI

InChI=1S/C25H25N5O2/c1-32-20-8-9-21-22(16-20)24(19-6-3-2-4-7-19)23(17-26)30(25(21)31)15-12-27-10-5-13-29-14-11-28-18-29/h2-4,6-9,11,14,16,18,27H,5,10,12-13,15H2,1H3