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

Systemtic Name: N-[1-[2-azanyl-1-(4-methylpentyl)-3-oxidanyl-piperidin-2-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]isoquinoline-3-carboxamide Openeye Name: N-[1-(2-amino-3-hydroxy-1-isohexyl-piperidine-2-carbonyl)-3-methyl-butyl]isoquinoline-3-carboxamide CAS Name: N-[1-[2-amino-3-hydroxy-1-(4-methylpentyl)-2-piperidinyl]-4-methyl-1-oxopentan-2-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[1-[2-amino-3-hydroxy-1-(4-methylpentyl)piperidin-2-yl]-4-methyl-1-oxopentan-2-yl]isoquinoline-3-carboxamide Traditional Name: N-[1-(2-amino-3-hydroxy-1-isohexyl-pipecoloyl)-3-methyl-butyl]isoquinoline-3-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=CC=CC=C3C=N2)N)O

Isomeric SMILES

CC(C)CCCN1CCCC(C1(C(=O)C(CC(C)C)NC(=O)C2=CC3=CC=CC=C3C=N2)N)O

InChI

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