4-[2-azanyl-2-cyclopropyl-4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-pentyl]-3-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[2-azanyl-2-cyclopropyl-4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-pentyl]-3-chloranyl-benzenecarbonitrile Openeye Name: 4-[2-amino-2-cyclopropyl-4-(5-fluoro-2-methoxy-phenyl)-4-methyl-pentyl]-3-chloro-benzonitrile CAS Name: 4-[2-amino-2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methylpentyl]-3-chlorobenzonitrile IUPAC Name: 4-[2-amino-2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methylpentyl]-3-chlorobenzonitrile Traditional Name: 4-[2-amino-2-cyclopropyl-4-(5-fluoro-2-methoxy-phenyl)-4-methyl-pentyl]-3-chloro-benzonitrile Formula: C23H26ClFN2O MolecularWeight: 400.916743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CC1=C(C=C(C=C1)C#N)Cl)(C2CC2)N)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC(C)(CC(CC1=C(C=C(C=C1)C#N)Cl)(C2CC2)N)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C23H26ClFN2O/c1-22(2,19-11-18(25)8-9-21(19)28-3)14-23(27,17-6-7-17)12-16-5-4-15(13-26)10-20(16)24/h4-5,8-11,17H,6-7,12,14,27H2,1-3H3