[3-butyl-4-[2-[(4-nitrophenyl)methylamino]-3-oxidanyl-propyl]piperazin-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [3-butyl-4-[2-[(4-nitrophenyl)methylamino]-3-oxidanyl-propyl]piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [3-butyl-4-[3-hydroxy-2-[(4-nitrophenyl)methylamino]propyl]piperazin-1-yl]-(1-naphthyl)methanone CAS Name: [3-butyl-4-[3-hydroxy-2-[(4-nitrophenyl)methylamino]propyl]-1-piperazinyl]-(1-naphthalenyl)methanone IUPAC Name: [3-butyl-4-[3-hydroxy-2-[(4-nitrophenyl)methylamino]propyl]piperazin-1-yl]-naphthalen-1-ylmethanone Traditional Name: [3-butyl-4-[3-hydroxy-2-[(4-nitrobenzyl)amino]propyl]piperazino]-(1-naphthyl)methanone Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1CC(CO)NCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCC1CN(CCN1CC(CO)NCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H36N4O4/c1-2-3-9-26-20-32(29(35)28-11-6-8-23-7-4-5-10-27(23)28)17-16-31(26)19-24(21-34)30-18-22-12-14-25(15-13-22)33(36)37/h4-8,10-15,24,26,30,34H,2-3,9,16-21H2,1H3