N-carbamimidoyl-N-methyl-6-[3-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide

Systemtic Name: N-carbamimidoyl-N-methyl-6-[3-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide Openeye Name: N-carbamimidoyl-N-methyl-6-[3-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide CAS Name: N-carbamimidoyl-N-methyl-6-[3-(1-pyrrolidinylmethyl)phenoxy]-1H-indole-2-carboxamide IUPAC Name: N-carbamimidoyl-N-methyl-6-[3-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide Traditional Name: N-amidino-N-methyl-6-[3-(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=C(C=C2)OC3=CC=CC(=C3)CN4CCCC4)C(=N)N

Isomeric SMILES

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

InChI

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