N-[[1-[[2,3-bis(chloranyl)phenyl]methyl]pyrrolidin-3-yl]methyl]-3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]propanamide

Systemtic Name: N-[[1-[[2,3-bis(chloranyl)phenyl]methyl]pyrrolidin-3-yl]methyl]-3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]propanamide Openeye Name: N-[[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]propanamide CAS Name: N-[[1-[(2,3-dichlorophenyl)methyl]-3-pyrrolidinyl]methyl]-3-[5-(3,4-dimethoxyphenyl)-2-pyrimidinyl]propanamide IUPAC Name: N-[[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]propanamide Traditional Name: N-[[1-(2,3-dichlorobenzyl)pyrrolidin-3-yl]methyl]-3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]propionamide Formula: C27H30Cl2N4O3 MolecularWeight: 529.4581

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C(N=C2)CCC(=O)NCC3CCN(C3)CC4=C(C(=CC=C4)Cl)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C(N=C2)CCC(=O)NCC3CCN(C3)CC4=C(C(=CC=C4)Cl)Cl)OC

InChI

InChI=1S/C27H30Cl2N4O3/c1-35-23-7-6-19(12-24(23)36-2)21-14-30-25(31-15-21)8-9-26(34)32-13-18-10-11-33(16-18)17-20-4-3-5-22(28)27(20)29/h3-7,12,14-15,18H,8-11,13,16-17H2,1-2H3,(H,32,34)