N-[1-(azepan-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)-3-phenyl-1,2-oxazol-5-amine

Systemtic Name: N-[1-(azepan-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)-3-phenyl-1,2-oxazol-5-amine Openeye Name: N-[1-(azepan-2-yl)ethyl]-N-(1-naphthylmethyl)-3-phenyl-isoxazol-5-amine CAS Name: N-[1-(2-azepanyl)ethyl]-N-(1-naphthalenylmethyl)-3-phenyl-5-isoxazolamine IUPAC Name: N-[1-(azepan-2-yl)ethyl]-N-(naphthalen-1-ylmethyl)-3-phenyl-1,2-oxazol-5-amine Traditional Name: 1-(azepan-2-yl)ethyl-(1-naphthylmethyl)-(3-phenylisoxazol-5-yl)amine Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCCN1)N(CC2=CC=CC3=CC=CC=C32)C4=CC(=NO4)C5=CC=CC=C5

Isomeric SMILES

CC(C1CCCCCN1)N(CC2=CC=CC3=CC=CC=C32)C4=CC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O/c1-21(26-17-6-3-9-18-29-26)31(20-24-15-10-14-22-11-7-8-16-25(22)24)28-19-27(30-32-28)23-12-4-2-5-13-23/h2,4-5,7-8,10-16,19,21,26,29H,3,6,9,17-18,20H2,1H3