4-[1-azanyl-1-(3-methylimidazol-4-yl)ethyl]-2-[3-(4-methyl-3-oxidanylidene-2-propyl-morpholin-2-yl)phenoxy]benzenecarbonitrile

Systemtic Name: 4-[1-azanyl-1-(3-methylimidazol-4-yl)ethyl]-2-[3-(4-methyl-3-oxidanylidene-2-propyl-morpholin-2-yl)phenoxy]benzenecarbonitrile Openeye Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-[3-(4-methyl-3-oxo-2-propyl-morpholin-2-yl)phenoxy]benzonitrile CAS Name: 4-[1-amino-1-(3-methyl-4-imidazolyl)ethyl]-2-[3-(4-methyl-3-oxo-2-propyl-2-morpholinyl)phenoxy]benzonitrile IUPAC Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-[3-(4-methyl-3-oxo-2-propylmorpholin-2-yl)phenoxy]benzonitrile Traditional Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-[3-(3-keto-4-methyl-2-propyl-morpholin-2-yl)phenoxy]benzonitrile Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)N(CCO1)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C(C)(C4=CN=CN4C)N)C#N

Isomeric SMILES

CCCC1(C(=O)N(CCO1)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C(C)(C4=CN=CN4C)N)C#N

InChI

InChI=1S/C27H31N5O3/c1-5-11-27(25(33)31(3)12-13-34-27)21-7-6-8-22(14-21)35-23-15-20(10-9-19(23)16-28)26(2,29)24-17-30-18-32(24)4/h6-10,14-15,17-18H,5,11-13,29H2,1-4H3