4-[2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-cyclopropylcarbonyl-4-(3,4-dimethoxyphenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-cyclopropylcarbonyl-4-(3,4-dimethoxyphenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-(cyclopropanecarbonyl)-4-(3,4-dimethoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carbonyl]benzonitrile CAS Name: 4-[[2-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-[cyclopropyl(oxo)methyl]-4-(3,4-dimethoxyphenyl)-5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(cyclopropanecarbonyl)-4-(3,4-dimethoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carbonyl]benzonitrile Traditional Name: 4-[2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-(cyclopropanecarbonyl)-4-(3,4-dimethoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carbonyl]benzonitrile Formula: C34H37ClN6O5 MolecularWeight: 645.14778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2C(C(C(N2C(=O)C3CC3)C(=O)N4CCNCC4)C5=CC(=C(C=C5)OC)OC)C(=O)C6=CC=C(C=C6)C#N)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C2C(C(C(N2C(=O)C3CC3)C(=O)N4CCNCC4)C5=CC(=C(C=C5)OC)OC)C(=O)C6=CC=C(C=C6)C#N)Cl)C

InChI

InChI=1S/C34H37ClN6O5/c1-19-26(32(35)39(2)38-19)29-28(31(42)21-7-5-20(18-36)6-8-21)27(23-11-12-24(45-3)25(17-23)46-4)30(41(29)33(43)22-9-10-22)34(44)40-15-13-37-14-16-40/h5-8,11-12,17,22,27-30,37H,9-10,13-16H2,1-4H3