N-carbamimidoyl-N-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide

Systemtic Name: N-carbamimidoyl-N-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide Openeye Name: N-carbamimidoyl-N-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide CAS Name: N-carbamimidoyl-N-methyl-7-[4-(1-pyrrolidinylmethyl)phenoxy]-1H-indole-2-carboxamide IUPAC Name: N-carbamimidoyl-N-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide Traditional Name: N-amidino-N-methyl-7-[4-(pyrrolidinomethyl)phenoxy]-1H-indole-2-carboxamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC2=C(N1)C(=CC=C2)OC3=CC=C(C=C3)CN4CCCC4)C(=N)N

Isomeric SMILES

CN(C(=O)C1=CC2=C(N1)C(=CC=C2)OC3=CC=C(C=C3)CN4CCCC4)C(=N)N

InChI

InChI=1S/C22H25N5O2/c1-26(22(23)24)21(28)18-13-16-5-4-6-19(20(16)25-18)29-17-9-7-15(8-10-17)14-27-11-2-3-12-27/h4-10,13,25H,2-3,11-12,14H2,1H3,(H3,23,24)