N-carbamimidoyl-N-methyl-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide

Systemtic Name: N-carbamimidoyl-N-methyl-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide Openeye Name: N-carbamimidoyl-N-methyl-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide CAS Name: N-carbamimidoyl-N-methyl-7-[2-(1-pyrrolidinylmethyl)phenoxy]-1H-indole-2-carboxamide IUPAC Name: N-carbamimidoyl-N-methyl-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide Traditional Name: N-amidino-N-methyl-7-[2-(pyrrolidinomethyl)phenoxy]-1H-indole-2-carboxamide Formula: C22H25N5O2 MolecularWeight: 391.4662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC2=C(N1)C(=CC=C2)OC3=CC=CC=C3CN4CCCC4)C(=N)N

Isomeric SMILES

CN(C(=O)C1=CC2=C(N1)C(=CC=C2)OC3=CC=CC=C3CN4CCCC4)C(=N)N

InChI

InChI=1S/C22H25N5O2/c1-26(22(23)24)21(28)17-13-15-8-6-10-19(20(15)25-17)29-18-9-3-2-7-16(18)14-27-11-4-5-12-27/h2-3,6-10,13,25H,4-5,11-12,14H2,1H3,(H3,23,24)