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

Systemtic Name: N-[phenyl-(3,4,5-trimethoxyphenyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: N-[phenyl-(3,4,5-trimethoxyphenyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: N-[phenyl-(3,4,5-trimethoxyphenyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: N-[phenyl-(3,4,5-trimethoxyphenyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [phenyl-(3,4,5-trimethoxyphenyl)methyl]-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2)NC3=NCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2)NC3=NCCCCC3

InChI

InChI=1S/C22H28N2O3/c1-25-18-14-17(15-19(26-2)22(18)27-3)21(16-10-6-4-7-11-16)24-20-12-8-5-9-13-23-20/h4,6-7,10-11,14-15,21H,5,8-9,12-13H2,1-3H3,(H,23,24)