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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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