N-[(4-dodecoxy-2-methyl-phenyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: (4-lauryloxy-2-methyl-benzyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C26H44N2O MolecularWeight: 400.64036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)CNC2=NCCCCC2)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)CNC2=NCCCCC2)C

InChI

InChI=1S/C26H44N2O/c1-3-4-5-6-7-8-9-10-11-15-20-29-25-18-17-24(23(2)21-25)22-28-26-16-13-12-14-19-27-26/h17-18,21H,3-16,19-20,22H2,1-2H3,(H,27,28)