N-[1-[2-azanyl-1-(4-methylpentyl)-3-oxidanyl-piperidin-2-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]quinoline-6-carboxamide

Systemtic Name: N-[1-[2-azanyl-1-(4-methylpentyl)-3-oxidanyl-piperidin-2-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]quinoline-6-carboxamide Openeye Name: N-[1-(2-amino-3-hydroxy-1-isohexyl-piperidine-2-carbonyl)-3-methyl-butyl]quinoline-6-carboxamide CAS Name: N-[1-[2-amino-3-hydroxy-1-(4-methylpentyl)-2-piperidinyl]-4-methyl-1-oxopentan-2-yl]-6-quinolinecarboxamide IUPAC Name: N-[1-[2-amino-3-hydroxy-1-(4-methylpentyl)piperidin-2-yl]-4-methyl-1-oxopentan-2-yl]quinoline-6-carboxamide Traditional Name: N-[1-(2-amino-3-hydroxy-1-isohexyl-pipecoloyl)-3-methyl-butyl]quinoline-6-carboxamide Formula: C27H40N4O3 MolecularWeight: 468.6315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1CCCC(C1(C(=O)C(CC(C)C)NC(=O)C2=CC3=C(C=C2)N=CC=C3)N)O

Isomeric SMILES

CC(C)CCCN1CCCC(C1(C(=O)C(CC(C)C)NC(=O)C2=CC3=C(C=C2)N=CC=C3)N)O

InChI

InChI=1S/C27H40N4O3/c1-18(2)8-6-14-31-15-7-10-24(32)27(31,28)25(33)23(16-19(3)4)30-26(34)21-11-12-22-20(17-21)9-5-13-29-22/h5,9,11-13,17-19,23-24,32H,6-8,10,14-16,28H2,1-4H3,(H,30,34)