N-(2-azanyl-4-methyl-pentanoyl)-N-[(3-oxidanylpyrrolidin-1-yl)methyl]quinoline-2-carboxamide

Systemtic Name: N-(2-azanyl-4-methyl-pentanoyl)-N-[(3-oxidanylpyrrolidin-1-yl)methyl]quinoline-2-carboxamide Openeye Name: N-(2-amino-4-methyl-pentanoyl)-N-[(3-hydroxypyrrolidin-1-yl)methyl]quinoline-2-carboxamide CAS Name: N-(2-amino-4-methyl-1-oxopentyl)-N-[(3-hydroxy-1-pyrrolidinyl)methyl]-2-quinolinecarboxamide IUPAC Name: N-(2-amino-4-methylpentanoyl)-N-[(3-hydroxypyrrolidin-1-yl)methyl]quinoline-2-carboxamide Traditional Name: N-(2-amino-4-methyl-pentanoyl)-N-[(3-hydroxypyrrolidino)methyl]quinaldamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(CN1CCC(C1)O)C(=O)C2=NC3=CC=CC=C3C=C2)N

Isomeric SMILES

CC(C)CC(C(=O)N(CN1CCC(C1)O)C(=O)C2=NC3=CC=CC=C3C=C2)N

InChI

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