3-nitro-N-[2-oxidanylidene-2-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methylamino]ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methylamino]ethyl]benzamide Openeye Name: 3-nitro-N-[2-oxo-2-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methylamino]ethyl]benzamide CAS Name: 3-nitro-N-[2-oxo-2-[[2-[(4-phenyl-1-piperazinyl)methyl]phenyl]methylamino]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-oxo-2-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methylamino]ethyl]benzamide Traditional Name: N-[2-keto-2-[[2-[(4-phenylpiperazino)methyl]benzyl]amino]ethyl]-3-nitro-benzamide Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2CNC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2CNC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H29N5O4/c33-26(19-29-27(34)21-9-6-12-25(17-21)32(35)36)28-18-22-7-4-5-8-23(22)20-30-13-15-31(16-14-30)24-10-2-1-3-11-24/h1-12,17H,13-16,18-20H2,(H,28,33)(H,29,34)