3-[4-(azocan-1-yl)-3-nitro-phenyl]-3-(2-naphthalen-1-ylethanoylamino)propanamide

Systemtic Name: 3-[4-(azocan-1-yl)-3-nitro-phenyl]-3-(2-naphthalen-1-ylethanoylamino)propanamide Openeye Name: 3-[4-(azocan-1-yl)-3-nitro-phenyl]-3-[[2-(1-naphthyl)acetyl]amino]propanamide CAS Name: 3-[4-(1-azocanyl)-3-nitrophenyl]-3-[[2-(1-naphthalenyl)-1-oxoethyl]amino]propanamide IUPAC Name: 3-[4-(azocan-1-yl)-3-nitrophenyl]-3-[(2-naphthalen-1-ylacetyl)amino]propanamide Traditional Name: 3-[4-(azocan-1-yl)-3-nitro-phenyl]-3-[[2-(1-naphthyl)acetyl]amino]propionamide Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C28H32N4O4/c29-27(33)19-24(30-28(34)18-21-11-8-10-20-9-4-5-12-23(20)21)22-13-14-25(26(17-22)32(35)36)31-15-6-2-1-3-7-16-31/h4-5,8-14,17,24H,1-3,6-7,15-16,18-19H2,(H2,29,33)(H,30,34)