N-(2-azanylethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(4-fluorophenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(4-fluorophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-[(4-fluorophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(m-anisyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Formula: C29H39FN4O3 MolecularWeight: 510.643363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CC2CCCCC2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)F)C(=O)NCCN

Isomeric SMILES

COC1=CC=CC(=C1)CN(CC2CCCCC2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)F)C(=O)NCCN

InChI

InChI=1S/C29H39FN4O3/c1-37-26-9-5-8-22(16-26)19-33(18-21-6-3-2-4-7-21)25-17-27(28(35)32-15-14-31)34(20-25)29(36)23-10-12-24(30)13-11-23/h5,8-13,16,21,25,27H,2-4,6-7,14-15,17-20,31H2,1H3,(H,32,35)