N-[cyclopropyl-[(2-methylpropan-2-yl)oxy]-phenyl-methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: N-[cyclopropyl-[(2-methylpropan-2-yl)oxy]-phenyl-methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: N-(tert-butoxy-cyclopropyl-phenyl-methyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: N-[cyclopropyl-[(2-methylpropan-2-yl)oxy]-phenylmethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: N-[cyclopropyl-[(2-methylpropan-2-yl)oxy]-phenylmethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: (tert-butoxy-cyclopropyl-phenyl-methyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C20H30N2O MolecularWeight: 314.465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(C1CC1)(C2=CC=CC=C2)NC3=NCCCCC3

Isomeric SMILES

CC(C)(C)OC(C1CC1)(C2=CC=CC=C2)NC3=NCCCCC3

InChI

InChI=1S/C20H30N2O/c1-19(2,3)23-20(17-13-14-17,16-10-6-4-7-11-16)22-18-12-8-5-9-15-21-18/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3,(H,21,22)