ethyl 2-[[4-[8-(3-cyanophenyl)quinolin-2-yl]piperazin-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-[8-(3-cyanophenyl)quinolin-2-yl]piperazin-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-[8-(3-cyanophenyl)-2-quinolyl]piperazine-1-carbonyl]amino]acetate CAS Name: 2-[[[4-[8-(3-cyanophenyl)-2-quinolinyl]-1-piperazinyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[8-(3-cyanophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate Traditional Name: 2-[[4-[8-(3-cyanophenyl)-2-quinolyl]piperazine-1-carbonyl]amino]acetic acid ethyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCN(CC1)C2=NC3=C(C=CC=C3C4=CC=CC(=C4)C#N)C=C2

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCN(CC1)C2=NC3=C(C=CC=C3C4=CC=CC(=C4)C#N)C=C2

InChI

InChI=1S/C25H25N5O3/c1-2-33-23(31)17-27-25(32)30-13-11-29(12-14-30)22-10-9-19-6-4-8-21(24(19)28-22)20-7-3-5-18(15-20)16-26/h3-10,15H,2,11-14,17H2,1H3,(H,27,32)