N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-cyclohexylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-cyclohexylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide CAS Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-1-[cyclohexyl(oxo)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-2-keto-1-(2-naphthylmethyl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide Formula: C28H38N4O4 MolecularWeight: 494.62572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCC2C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCC(CN)O

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCCC2C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCC(CN)O

InChI

InChI=1S/C28H38N4O4/c29-17-23(33)18-30-26(34)24(16-19-12-13-20-7-4-5-10-22(20)15-19)31-27(35)25-11-6-14-32(25)28(36)21-8-2-1-3-9-21/h4-5,7,10,12-13,15,21,23-25,33H,1-3,6,8-9,11,14,16-18,29H2,(H,30,34)(H,31,35)