N-[1-[1-(aminomethyl)-3-oxidanyl-pyrrolidin-2-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[1-[1-(aminomethyl)-3-oxidanyl-pyrrolidin-2-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]quinoline-2-carboxamide Openeye Name: N-[1-[1-(aminomethyl)-3-hydroxy-pyrrolidine-2-carbonyl]-3-methyl-butyl]quinoline-2-carboxamide CAS Name: N-[1-[1-(aminomethyl)-3-hydroxy-2-pyrrolidinyl]-4-methyl-1-oxopentan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[1-[1-(aminomethyl)-3-hydroxypyrrolidin-2-yl]-4-methyl-1-oxopentan-2-yl]quinoline-2-carboxamide Traditional Name: N-[1-[1-(aminomethyl)-3-hydroxy-prolyl]-3-methyl-butyl]quinaldamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1C(CCN1CN)O)NC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)CC(C(=O)C1C(CCN1CN)O)NC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H28N4O3/c1-13(2)11-17(20(27)19-18(26)9-10-25(19)12-22)24-21(28)16-8-7-14-5-3-4-6-15(14)23-16/h3-8,13,17-19,26H,9-12,22H2,1-2H3,(H,24,28)