N-[1-[2-methyl-4-(3-phenoxypropoxy)phenyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: N-[1-[2-methyl-4-(3-phenoxypropoxy)phenyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: N-[1-[2-methyl-4-(3-phenoxypropoxy)phenyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: N-[1-[2-methyl-4-(3-phenoxypropoxy)phenyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: N-[1-[2-methyl-4-(3-phenoxypropoxy)phenyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: 1-[2-methyl-4-(3-phenoxypropoxy)phenyl]ethyl-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C24H32N2O2 MolecularWeight: 380.52308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCOC2=CC=CC=C2)C(C)NC3=NCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCOC2=CC=CC=C2)C(C)NC3=NCCCCC3

InChI

InChI=1S/C24H32N2O2/c1-19-18-22(28-17-9-16-27-21-10-5-3-6-11-21)13-14-23(19)20(2)26-24-12-7-4-8-15-25-24/h3,5-6,10-11,13-14,18,20H,4,7-9,12,15-17H2,1-2H3,(H,25,26)