N-[3-(azepin-1-yl)propyl]-N-(naphthalen-1-ylmethyl)-3-(3-nitrophenyl)-1,2-oxazol-5-amine

Systemtic Name: N-[3-(azepin-1-yl)propyl]-N-(naphthalen-1-ylmethyl)-3-(3-nitrophenyl)-1,2-oxazol-5-amine Openeye Name: N-[3-(azepin-1-yl)propyl]-N-(1-naphthylmethyl)-3-(3-nitrophenyl)isoxazol-5-amine CAS Name: N-[3-(1-azepinyl)propyl]-N-(1-naphthalenylmethyl)-3-(3-nitrophenyl)-5-isoxazolamine IUPAC Name: N-[3-(azepin-1-yl)propyl]-N-(naphthalen-1-ylmethyl)-3-(3-nitrophenyl)-1,2-oxazol-5-amine Traditional Name: 3-(azepin-1-yl)propyl-(1-naphthylmethyl)-[3-(3-nitrophenyl)isoxazol-5-yl]amine Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CN(C=C1)CCCN(CC2=CC=CC3=CC=CC=C32)C4=CC(=NO4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=CN(C=C1)CCCN(CC2=CC=CC3=CC=CC=C32)C4=CC(=NO4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H26N4O3/c34-33(35)26-14-8-12-24(20-26)28-21-29(36-30-28)32(19-9-18-31-16-5-1-2-6-17-31)22-25-13-7-11-23-10-3-4-15-27(23)25/h1-8,10-17,20-21H,9,18-19,22H2