4-[4-[[5-aminocarbonyl-4-[(3-nitrophenyl)methylamino]pyridin-2-yl]amino]phenyl]-N-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-[4-[[5-aminocarbonyl-4-[(3-nitrophenyl)methylamino]pyridin-2-yl]amino]phenyl]-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[4-[[5-carbamoyl-4-[(3-nitrophenyl)methylamino]-2-pyridyl]amino]phenyl]-N-isopropyl-piperazine-1-carboxamide CAS Name: 4-[4-[[5-carbamoyl-4-[(3-nitrophenyl)methylamino]-2-pyridinyl]amino]phenyl]-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[4-[[5-carbamoyl-4-[(3-nitrophenyl)methylamino]pyridin-2-yl]amino]phenyl]-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[4-[[5-carbamoyl-4-[(3-nitrobenzyl)amino]-2-pyridyl]amino]phenyl]-N-isopropyl-piperazine-1-carboxamide Formula: C27H32N8O4 MolecularWeight: 532.59418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=C3)NCC4=CC(=CC=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC(C)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=C3)NCC4=CC(=CC=C4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C27H32N8O4/c1-18(2)31-27(37)34-12-10-33(11-13-34)21-8-6-20(7-9-21)32-25-15-24(23(17-30-25)26(28)36)29-16-19-4-3-5-22(14-19)35(38)39/h3-9,14-15,17-18H,10-13,16H2,1-2H3,(H2,28,36)(H,31,37)(H2,29,30,32)