N-[(4-phenoxyphenyl)-phenyl-methyl]-1-azacyclotridecen-2-amine

Systemtic Name: N-[(4-phenoxyphenyl)-phenyl-methyl]-1-azacyclotridecen-2-amine Openeye Name: N-[(4-phenoxyphenyl)-phenyl-methyl]-1-azacyclotridecen-2-amine CAS Name: N-[(4-phenoxyphenyl)-phenylmethyl]-1-azacyclotridecen-2-amine IUPAC Name: N-[(4-phenoxyphenyl)-phenylmethyl]-1-azacyclotridecen-2-amine Traditional Name: 1-azacyclotridecen-2-yl-[(4-phenoxyphenyl)-phenyl-methyl]amine Formula: C31H38N2O MolecularWeight: 454.64622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=NCCCCC1)NC(C2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCCCCC(=NCCCCC1)NC(C2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C31H38N2O/c1-2-4-6-14-20-30(32-25-15-7-5-3-1)33-31(26-16-10-8-11-17-26)27-21-23-29(24-22-27)34-28-18-12-9-13-19-28/h8-13,16-19,21-24,31H,1-7,14-15,20,25H2,(H,32,33)