(3-nitro-4-pyrrolidin-1-yl-phenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (3-nitro-4-pyrrolidin-1-yl-phenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Openeye Name: (3-nitro-4-pyrrolidin-1-yl-phenyl)-[4-(8-quinolylmethyl)piperazin-1-yl]methanone CAS Name: [3-nitro-4-(1-pyrrolidinyl)phenyl]-[4-(8-quinolinylmethyl)-1-piperazinyl]methanone IUPAC Name: (3-nitro-4-pyrrolidin-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Traditional Name: (3-nitro-4-pyrrolidino-phenyl)-[4-(8-quinolylmethyl)piperazino]methanone Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O3/c31-25(20-8-9-22(23(17-20)30(32)33)28-11-1-2-12-28)29-15-13-27(14-16-29)18-21-6-3-5-19-7-4-10-26-24(19)21/h3-10,17H,1-2,11-16,18H2