5-(3-methylbutanoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-(3-methylbutanoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-(3-methylbutanoylamino)-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[(3-methyl-1-oxobutyl)amino]-N-(3-pyridinylmethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-(3-methylbutanoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-(isovalerylamino)-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-16(2)12-21(27)25-18-7-8-20(26-10-3-4-11-26)19(13-18)22(28)24-15-17-6-5-9-23-14-17/h5-9,13-14,16H,3-4,10-12,15H2,1-2H3,(H,24,28)(H,25,27)