N-(isoquinolin-5-ylmethyl)-N-methyl-2-[1-(3-methylbutyl)-3-oxidanylidene-piperazin-2-yl]ethanamide

Systemtic Name: N-(isoquinolin-5-ylmethyl)-N-methyl-2-[1-(3-methylbutyl)-3-oxidanylidene-piperazin-2-yl]ethanamide Openeye Name: 2-(1-isopentyl-3-oxo-piperazin-2-yl)-N-(5-isoquinolylmethyl)-N-methyl-acetamide CAS Name: N-(5-isoquinolinylmethyl)-N-methyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide IUPAC Name: N-(isoquinolin-5-ylmethyl)-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide Traditional Name: 2-(1-isoamyl-3-keto-piperazin-2-yl)-N-(5-isoquinolylmethyl)-N-methyl-acetamide Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCNC(=O)C1CC(=O)N(C)CC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)CCN1CCNC(=O)C1CC(=O)N(C)CC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H30N4O2/c1-16(2)8-11-26-12-10-24-22(28)20(26)13-21(27)25(3)15-18-6-4-5-17-14-23-9-7-19(17)18/h4-7,9,14,16,20H,8,10-13,15H2,1-3H3,(H,24,28)