5-azanyl-N-[(4-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]indole-2-carboxamide

Systemtic Name: 5-azanyl-N-[(4-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]indole-2-carboxamide Openeye Name: 5-amino-N-[(4-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]indole-2-carboxamide CAS Name: 5-amino-N-[(4-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-2-indolecarboxamide IUPAC Name: 5-amino-N-[(4-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]indole-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-5-amino-1-(3-cyanobenzyl)indole-2-carboxamide Formula: C25H22N6O MolecularWeight: 422.48178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)N)C=C2C(=O)NCC4=CC=C(C=C4)C(=N)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)N)C=C2C(=O)NCC4=CC=C(C=C4)C(=N)N)C#N

InChI

InChI=1S/C25H22N6O/c26-13-17-2-1-3-18(10-17)15-31-22-9-8-21(27)11-20(22)12-23(31)25(32)30-14-16-4-6-19(7-5-16)24(28)29/h1-12H,14-15,27H2,(H3,28,29)(H,30,32)