N-[1-(3-azanylpropylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(3-azanylpropylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3-aminopropylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide CAS Name: N-[1-(3-aminopropylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]-1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide Traditional Name: N-[2-(3-aminopropylamino)-2-keto-1-(2-naphthylmethyl)ethyl]-1-(4-fluorobenzoyl)isonipecotamide Formula: C29H33FN4O3 MolecularWeight: 504.595723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCCCN)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCCCN)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H33FN4O3/c30-25-10-8-23(9-11-25)29(37)34-16-12-22(13-17-34)27(35)33-26(28(36)32-15-3-14-31)19-20-6-7-21-4-1-2-5-24(21)18-20/h1-2,4-11,18,22,26H,3,12-17,19,31H2,(H,32,36)(H,33,35)