3-(cyclopropylmethoxy)-5-(cyclopropylmethylamino)-2-(3-fluorophenyl)carbonyl-4-methyl-benzenecarbonitrile

Systemtic Name: 3-(cyclopropylmethoxy)-5-(cyclopropylmethylamino)-2-(3-fluorophenyl)carbonyl-4-methyl-benzenecarbonitrile Openeye Name: 3-(cyclopropylmethoxy)-5-(cyclopropylmethylamino)-2-(3-fluorobenzoyl)-4-methyl-benzonitrile CAS Name: 3-(cyclopropylmethoxy)-5-(cyclopropylmethylamino)-2-[(3-fluorophenyl)-oxomethyl]-4-methylbenzonitrile IUPAC Name: 3-(cyclopropylmethoxy)-5-(cyclopropylmethylamino)-2-(3-fluorobenzoyl)-4-methylbenzonitrile Traditional Name: 3-(cyclopropylmethoxy)-5-(cyclopropylmethylamino)-2-(3-fluorobenzoyl)-4-methyl-benzonitrile Formula: C23H23FN2O2 MolecularWeight: 378.439323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1OCC2CC2)C(=O)C3=CC(=CC=C3)F)C#N)NCC4CC4

Isomeric SMILES

CC1=C(C=C(C(=C1OCC2CC2)C(=O)C3=CC(=CC=C3)F)C#N)NCC4CC4

InChI

InChI=1S/C23H23FN2O2/c1-14-20(26-12-15-5-6-15)10-18(11-25)21(23(14)28-13-16-7-8-16)22(27)17-3-2-4-19(24)9-17/h2-4,9-10,15-16,26H,5-8,12-13H2,1H3