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

Systemtic Name: N-[1-[2-azanyl-3-oxidanyl-1-(phenylcarbonyl)piperidin-2-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]isoquinoline-3-carboxamide Openeye Name: N-[1-(2-amino-1-benzoyl-3-hydroxy-piperidine-2-carbonyl)-3-methyl-butyl]isoquinoline-3-carboxamide CAS Name: N-[1-(2-amino-1-benzoyl-3-hydroxy-2-piperidinyl)-4-methyl-1-oxopentan-2-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[1-(2-amino-1-benzoyl-3-hydroxypiperidin-2-yl)-4-methyl-1-oxopentan-2-yl]isoquinoline-3-carboxamide Traditional Name: N-[1-(2-amino-1-benzoyl-3-hydroxy-pipecoloyl)-3-methyl-butyl]isoquinoline-3-carboxamide Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1(C(CCCN1C(=O)C2=CC=CC=C2)O)N)NC(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CC(C)CC(C(=O)C1(C(CCCN1C(=O)C2=CC=CC=C2)O)N)NC(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C28H32N4O4/c1-18(2)15-22(31-26(35)23-16-20-11-6-7-12-21(20)17-30-23)25(34)28(29)24(33)13-8-14-32(28)27(36)19-9-4-3-5-10-19/h3-7,9-12,16-18,22,24,33H,8,13-15,29H2,1-2H3,(H,31,35)