N-[3-(azepin-1-yl)propyl]-3-(4-iodophenyl)-N-(naphthalen-1-ylmethyl)-1,2-oxazol-5-amine

Systemtic Name: N-[3-(azepin-1-yl)propyl]-3-(4-iodophenyl)-N-(naphthalen-1-ylmethyl)-1,2-oxazol-5-amine Openeye Name: N-[3-(azepin-1-yl)propyl]-3-(4-iodophenyl)-N-(1-naphthylmethyl)isoxazol-5-amine CAS Name: N-[3-(1-azepinyl)propyl]-3-(4-iodophenyl)-N-(1-naphthalenylmethyl)-5-isoxazolamine IUPAC Name: N-[3-(azepin-1-yl)propyl]-3-(4-iodophenyl)-N-(naphthalen-1-ylmethyl)-1,2-oxazol-5-amine Traditional Name: 3-(azepin-1-yl)propyl-[3-(4-iodophenyl)isoxazol-5-yl]-(1-naphthylmethyl)amine Formula: C29H26IN3O MolecularWeight: 559.44071

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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=C(C=C5)I

Isomeric SMILES

C1=CC=CN(C=C1)CCCN(CC2=CC=CC3=CC=CC=C32)C4=CC(=NO4)C5=CC=C(C=C5)I

InChI

InChI=1S/C29H26IN3O/c30-26-15-13-24(14-16-26)28-21-29(34-31-28)33(20-8-19-32-17-5-1-2-6-18-32)22-25-11-7-10-23-9-3-4-12-27(23)25/h1-7,9-18,21H,8,19-20,22H2