N-[1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide

Systemtic Name: N-[1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide Openeye Name: N-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-6-(isopropylamino)pyridine-3-carboxamide CAS Name: N-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-pyrrolidinyl]-6-(propan-2-ylamino)-3-pyridinecarboxamide IUPAC Name: N-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide Traditional Name: N-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-6-(isopropylamino)nicotinamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C(C=C1)C(=O)NC2CCN(C2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CC(C)NC1=NC=C(C=C1)C(=O)NC2CCN(C2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C21H25ClN4O3/c1-13(2)24-20-4-3-14(9-23-20)21(27)25-16-5-6-26(11-16)10-15-7-18-19(8-17(15)22)29-12-28-18/h3-4,7-9,13,16H,5-6,10-12H2,1-2H3,(H,23,24)(H,25,27)