N-[1-(1-azanyl-3-oxidanylidene-piperidin-2-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[1-(1-azanyl-3-oxidanylidene-piperidin-2-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]quinoline-2-carboxamide Openeye Name: N-[1-(1-amino-3-oxo-piperidine-2-carbonyl)-3-methyl-butyl]quinoline-2-carboxamide CAS Name: N-[1-(1-amino-3-oxo-2-piperidinyl)-4-methyl-1-oxopentan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[1-(1-amino-3-oxopiperidin-2-yl)-4-methyl-1-oxopentan-2-yl]quinoline-2-carboxamide Traditional Name: N-[1-(1-amino-3-keto-pipecoloyl)-3-methyl-butyl]quinaldamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1C(=O)CCCN1N)NC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)CC(C(=O)C1C(=O)CCCN1N)NC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H26N4O3/c1-13(2)12-17(20(27)19-18(26)8-5-11-25(19)22)24-21(28)16-10-9-14-6-3-4-7-15(14)23-16/h3-4,6-7,9-10,13,17,19H,5,8,11-12,22H2,1-2H3,(H,24,28)