3-(2-naphthalen-1-ylethanoylamino)-3-[3-nitro-4-[[1-(phenylmethyl)piperidin-4-yl]amino]phenyl]propanamide

Systemtic Name: 3-(2-naphthalen-1-ylethanoylamino)-3-[3-nitro-4-[[1-(phenylmethyl)piperidin-4-yl]amino]phenyl]propanamide Openeye Name: 3-[4-[(1-benzyl-4-piperidyl)amino]-3-nitro-phenyl]-3-[[2-(1-naphthyl)acetyl]amino]propanamide CAS Name: 3-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-3-[3-nitro-4-[[1-(phenylmethyl)-4-piperidinyl]amino]phenyl]propanamide IUPAC Name: 3-[4-[(1-benzylpiperidin-4-yl)amino]-3-nitrophenyl]-3-[(2-naphthalen-1-ylacetyl)amino]propanamide Traditional Name: 3-[4-[(1-benzyl-4-piperidyl)amino]-3-nitro-phenyl]-3-[[2-(1-naphthyl)acetyl]amino]propionamide Formula: C33H35N5O4 MolecularWeight: 565.6621

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C33H35N5O4/c34-32(39)21-30(36-33(40)20-25-11-6-10-24-9-4-5-12-28(24)25)26-13-14-29(31(19-26)38(41)42)35-27-15-17-37(18-16-27)22-23-7-2-1-3-8-23/h1-14,19,27,30,35H,15-18,20-22H2,(H2,34,39)(H,36,40)