4-butoxy-N-[6-[3-(dicyclopropylamino)pyrrolidin-1-yl]pyridin-3-yl]-N-methyl-benzamide

Systemtic Name: 4-butoxy-N-[6-[3-(dicyclopropylamino)pyrrolidin-1-yl]pyridin-3-yl]-N-methyl-benzamide Openeye Name: 4-butoxy-N-[6-[3-(dicyclopropylamino)pyrrolidin-1-yl]-3-pyridyl]-N-methyl-benzamide CAS Name: 4-butoxy-N-[6-[3-(dicyclopropylamino)-1-pyrrolidinyl]-3-pyridinyl]-N-methylbenzamide IUPAC Name: 4-butoxy-N-[6-[3-(dicyclopropylamino)pyrrolidin-1-yl]pyridin-3-yl]-N-methylbenzamide Traditional Name: 4-butoxy-N-[6-[3-(dicyclopropylamino)pyrrolidino]-3-pyridyl]-N-methyl-benzamide Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(C)C2=CN=C(C=C2)N3CCC(C3)N(C4CC4)C5CC5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(C)C2=CN=C(C=C2)N3CCC(C3)N(C4CC4)C5CC5

InChI

InChI=1S/C27H36N4O2/c1-3-4-17-33-25-12-5-20(6-13-25)27(32)29(2)23-11-14-26(28-18-23)30-16-15-24(19-30)31(21-7-8-21)22-9-10-22/h5-6,11-14,18,21-22,24H,3-4,7-10,15-17,19H2,1-2H3