3-azanylidene-3-(6-methoxyquinolin-2-yl)-2-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]propanenitrile

Systemtic Name: 3-azanylidene-3-(6-methoxyquinolin-2-yl)-2-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]propanenitrile Openeye Name: 2-(4-benzoyl-2-methyl-piperazin-1-yl)-3-imino-3-(6-methoxy-2-quinolyl)propanenitrile CAS Name: 2-(4-benzoyl-2-methyl-1-piperazinyl)-3-imino-3-(6-methoxy-2-quinolinyl)propanenitrile IUPAC Name: 2-(4-benzoyl-2-methylpiperazin-1-yl)-3-imino-3-(6-methoxyquinolin-2-yl)propanenitrile Traditional Name: 2-(4-benzoyl-2-methyl-piperazino)-3-imino-3-(6-methoxy-2-quinolyl)propionitrile Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C#N)C(=N)C2=NC3=C(C=C2)C=C(C=C3)OC)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(C#N)C(=N)C2=NC3=C(C=C2)C=C(C=C3)OC)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25N5O2/c1-17-16-29(25(31)18-6-4-3-5-7-18)12-13-30(17)23(15-26)24(27)22-10-8-19-14-20(32-2)9-11-21(19)28-22/h3-11,14,17,23,27H,12-13,16H2,1-2H3