4-(aminomethyl)-N-[5-methyl-1-oxidanylidene-1-(quinolin-3-ylamino)hexan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[5-methyl-1-oxidanylidene-1-(quinolin-3-ylamino)hexan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 4-(aminomethyl)-N-[4-methyl-1-(3-quinolylcarbamoyl)pentyl]pyrrolidine-2-carboxamide CAS Name: 4-(aminomethyl)-N-[5-methyl-1-oxo-1-(3-quinolinylamino)hexan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 4-(aminomethyl)-N-[5-methyl-1-oxo-1-(quinolin-3-ylamino)hexan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 4-(aminomethyl)-N-[4-methyl-1-(3-quinolylcarbamoyl)pentyl]pyrrolidine-2-carboxamide Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(=O)NC1=CC2=CC=CC=C2N=C1)NC(=O)C3CC(CN3)CN

Isomeric SMILES

CC(C)CCC(C(=O)NC1=CC2=CC=CC=C2N=C1)NC(=O)C3CC(CN3)CN

InChI

InChI=1S/C22H31N5O2/c1-14(2)7-8-19(27-22(29)20-9-15(11-23)12-24-20)21(28)26-17-10-16-5-3-4-6-18(16)25-13-17/h3-6,10,13-15,19-20,24H,7-9,11-12,23H2,1-2H3,(H,26,28)(H,27,29)