N-[3-(azepin-1-yl)propyl]-N-[(3-methoxyphenyl)methyl]-3-phenyl-1,2-oxazol-5-amine

Systemtic Name: N-[3-(azepin-1-yl)propyl]-N-[(3-methoxyphenyl)methyl]-3-phenyl-1,2-oxazol-5-amine Openeye Name: N-[3-(azepin-1-yl)propyl]-N-[(3-methoxyphenyl)methyl]-3-phenyl-isoxazol-5-amine CAS Name: N-[3-(1-azepinyl)propyl]-N-[(3-methoxyphenyl)methyl]-3-phenyl-5-isoxazolamine IUPAC Name: N-[3-(azepin-1-yl)propyl]-N-[(3-methoxyphenyl)methyl]-3-phenyl-1,2-oxazol-5-amine Traditional Name: 3-(azepin-1-yl)propyl-m-anisyl-(3-phenylisoxazol-5-yl)amine Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CCCN2C=CC=CC=C2)C3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CN(CCCN2C=CC=CC=C2)C3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2/c1-30-24-14-9-11-22(19-24)21-29(18-10-17-28-15-7-2-3-8-16-28)26-20-25(27-31-26)23-12-5-4-6-13-23/h2-9,11-16,19-20H,10,17-18,21H2,1H3