3-[(2-nitrophenyl)amino]-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide

Systemtic Name: 3-[(2-nitrophenyl)amino]-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide Openeye Name: 3-(2-nitroanilino)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide CAS Name: 3-(2-nitroanilino)-N-[[2-[(4-phenyl-1-piperazinyl)methyl]phenyl]methyl]propanamide IUPAC Name: 3-(2-nitroanilino)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide Traditional Name: 3-(2-nitroanilino)-N-[2-[(4-phenylpiperazino)methyl]benzyl]propionamide Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2CNC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2CNC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H31N5O3/c33-27(14-15-28-25-12-6-7-13-26(25)32(34)35)29-20-22-8-4-5-9-23(22)21-30-16-18-31(19-17-30)24-10-2-1-3-11-24/h1-13,28H,14-21H2,(H,29,33)