3-nitro-8-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3H-1,10-phenanthrolin-4-one

Systemtic Name: 3-nitro-8-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3H-1,10-phenanthrolin-4-one Openeye Name: 8-(4-benzylpiperazine-1-carbonyl)-3-nitro-3H-1,10-phenanthrolin-4-one CAS Name: 3-nitro-8-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3H-1,10-phenanthrolin-4-one IUPAC Name: 8-(4-benzylpiperazine-1-carbonyl)-3-nitro-3H-1,10-phenanthrolin-4-one Traditional Name: 8-(4-benzylpiperazine-1-carbonyl)-3-nitro-3H-1,10-phenanthrolin-4-one Formula: C24H21N5O4 MolecularWeight: 443.45464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CN=C4C(=C3)C=CC5=C4N=CC(C5=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CN=C4C(=C3)C=CC5=C4N=CC(C5=O)[N+](=O)[O-]

InChI

InChI=1S/C24H21N5O4/c30-23-19-7-6-17-12-18(13-25-21(17)22(19)26-14-20(23)29(32)33)24(31)28-10-8-27(9-11-28)15-16-4-2-1-3-5-16/h1-7,12-14,20H,8-11,15H2