3-(propan-2-ylcarbamoylamino)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide

Systemtic Name: 3-(propan-2-ylcarbamoylamino)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide Openeye Name: 3-(isopropylcarbamoylamino)-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]benzamide CAS Name: 3-[[oxo-(propan-2-ylamino)methyl]amino]-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]benzamide IUPAC Name: 3-(propan-2-ylcarbamoylamino)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide Traditional Name: 3-(isopropylcarbamoylamino)-N-[(6-pyrrolidino-3-pyridyl)methyl]benzamide Formula: C21H27N5O2 MolecularWeight: 381.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=CC(=C1)C(=O)NCC2=CN=C(C=C2)N3CCCC3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=CC(=C1)C(=O)NCC2=CN=C(C=C2)N3CCCC3

InChI

InChI=1S/C21H27N5O2/c1-15(2)24-21(28)25-18-7-5-6-17(12-18)20(27)23-14-16-8-9-19(22-13-16)26-10-3-4-11-26/h5-9,12-13,15H,3-4,10-11,14H2,1-2H3,(H,23,27)(H2,24,25,28)