[4-(4-nitrophenyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Openeye Name: [4-(4-nitrophenyl)piperazin-1-yl]-[2-(3-pyridyl)-4-quinolyl]methanone CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-[2-(3-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-(4-nitrophenyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Traditional Name: [4-(4-nitrophenyl)piperazino]-[2-(3-pyridyl)-4-quinolyl]methanone Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H21N5O3/c31-25(29-14-12-28(13-15-29)19-7-9-20(10-8-19)30(32)33)22-16-24(18-4-3-11-26-17-18)27-23-6-2-1-5-21(22)23/h1-11,16-17H,12-15H2