N-[1-(4-azanylbutylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[1-(4-azanylbutylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[2-(4-aminobutylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide CAS Name: N-[1-(4-aminobutylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]-1-(2-ethyl-1-oxobutyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(4-aminobutylamino)-2-keto-1-(2-naphthylmethyl)ethyl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide Formula: C28H40N4O3 MolecularWeight: 480.6422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCCCCN

Isomeric SMILES

CCC(CC)C(=O)N1CCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCCCCN

InChI

InChI=1S/C28H40N4O3/c1-3-21(4-2)28(35)32-17-9-12-25(32)27(34)31-24(26(33)30-16-8-7-15-29)19-20-13-14-22-10-5-6-11-23(22)18-20/h5-6,10-11,13-14,18,21,24-25H,3-4,7-9,12,15-17,19,29H2,1-2H3,(H,30,33)(H,31,34)