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

Systemtic Name: N-(2-azanylethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(m-anisyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C28H39N5O3 MolecularWeight: 493.64096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N5O3/c1-36-25-11-5-9-22(15-25)19-32(18-21-7-3-2-4-8-21)24-16-26(27(34)31-14-12-29)33(20-24)28(35)23-10-6-13-30-17-23/h5-6,9-11,13,15,17,21,24,26H,2-4,7-8,12,14,16,18-20,29H2,1H3,(H,31,34)