N-[3-[4-(2,2-dimethylbutyl)-2-isocyano-phenoxy]propyl]pyridin-2-amine

Systemtic Name: N-[3-[4-(2,2-dimethylbutyl)-2-isocyano-phenoxy]propyl]pyridin-2-amine Openeye Name: N-[3-[4-(2,2-dimethylbutyl)-2-isocyano-phenoxy]propyl]pyridin-2-amine CAS Name: N-[3-[4-(2,2-dimethylbutyl)-2-isocyanophenoxy]propyl]-2-pyridinamine IUPAC Name: N-[3-[4-(2,2-dimethylbutyl)-2-isocyanophenoxy]propyl]pyridin-2-amine Traditional Name: 3-[4-(2,2-dimethylbutyl)-2-isocyano-phenoxy]propyl-(2-pyridyl)amine Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CC1=CC(=C(C=C1)OCCCNC2=CC=CC=N2)[N+]#[C-]

Isomeric SMILES

CCC(C)(C)CC1=CC(=C(C=C1)OCCCNC2=CC=CC=N2)[N+]#[C-]

InChI

InChI=1S/C21H27N3O/c1-5-21(2,3)16-17-10-11-19(18(15-17)22-4)25-14-8-13-24-20-9-6-7-12-23-20/h6-7,9-12,15H,5,8,13-14,16H2,1-3H3,(H,23,24)