4-[4-(4-fluorophenyl)-1-(2-methoxyethanoyl)-3-(3-methylphenyl)carbonyl-5-piperazin-1-ylcarbonyl-pyrrolidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-fluorophenyl)-1-(2-methoxyethanoyl)-3-(3-methylphenyl)carbonyl-5-piperazin-1-ylcarbonyl-pyrrolidin-2-yl]benzenecarbonitrile Openeye Name: 4-[4-(4-fluorophenyl)-1-(2-methoxyacetyl)-3-(3-methylbenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile CAS Name: 4-[4-(4-fluorophenyl)-1-(2-methoxy-1-oxoethyl)-3-[(3-methylphenyl)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-2-pyrrolidinyl]benzonitrile IUPAC Name: 4-[4-(4-fluorophenyl)-1-(2-methoxyacetyl)-3-(3-methylbenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Traditional Name: 4-[4-(4-fluorophenyl)-1-(2-methoxyacetyl)-3-m-toluoyl-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Formula: C33H33FN4O4 MolecularWeight: 568.637923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)COC)C(=O)N4CCNCC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)COC)C(=O)N4CCNCC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C33H33FN4O4/c1-21-4-3-5-25(18-21)32(40)29-28(23-10-12-26(34)13-11-23)31(33(41)37-16-14-36-15-17-37)38(27(39)20-42-2)30(29)24-8-6-22(19-35)7-9-24/h3-13,18,28-31,36H,14-17,20H2,1-2H3