2-[2-isocyano-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanimidoyl]-1H-quinolin-5-one

Systemtic Name: 2-[2-isocyano-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanimidoyl]-1H-quinolin-5-one Openeye Name: 2-[2-(4-benzoylpiperazin-1-yl)-2-isocyano-ethanimidoyl]-1H-quinolin-5-one CAS Name: 2-[2-(4-benzoyl-1-piperazinyl)-1-imino-2-isocyanoethyl]-1H-quinolin-5-one IUPAC Name: 2-[2-(4-benzoylpiperazin-1-yl)-2-isocyanoethanimidoyl]-1H-quinolin-5-one Traditional Name: 2-[2-(4-benzoylpiperazino)-2-isocyano-acetimidoyl]-1H-quinolin-5-one Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C(C(=N)C1=CC=C2C(=O)C=CC=C2N1)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

[C-]#[N+]C(C(=N)C1=CC=C2C(=O)C=CC=C2N1)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2/c1-25-22(21(24)19-11-10-17-18(26-19)8-5-9-20(17)29)27-12-14-28(15-13-27)23(30)16-6-3-2-4-7-16/h2-11,22,24,26H,12-15H2