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

Systemtic Name: 5-(tert-butylcarbamoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-(tert-butylcarbamoylamino)-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(tert-butylamino)-oxomethyl]amino]-N-(3-pyridinylmethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-(tert-butylcarbamoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-(tert-butylcarbamoylamino)-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-22(2,3)26-21(29)25-17-8-9-19(27-11-4-5-12-27)18(13-17)20(28)24-15-16-7-6-10-23-14-16/h6-10,13-14H,4-5,11-12,15H2,1-3H3,(H,24,28)(H2,25,26,29)