1-[3-(4-carbamimidoylphenyl)prop-2-ynyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide

Systemtic Name: 1-[3-(4-carbamimidoylphenyl)prop-2-ynyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide Openeye Name: 1-[3-(4-carbamimidoylphenyl)prop-2-ynyl]-N-(4-pyridylmethyl)indole-2-carboxamide CAS Name: 1-[3-(4-carbamimidoylphenyl)prop-2-ynyl]-N-(pyridin-4-ylmethyl)-2-indolecarboxamide IUPAC Name: 1-[3-(4-carbamimidoylphenyl)prop-2-ynyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide Traditional Name: 1-[3-(4-amidinophenyl)prop-2-ynyl]-N-(4-pyridylmethyl)indole-2-carboxamide Formula: C25H21N5O MolecularWeight: 407.46714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2CC#CC3=CC=C(C=C3)C(=N)N)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2CC#CC3=CC=C(C=C3)C(=N)N)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C25H21N5O/c26-24(27)20-9-7-18(8-10-20)4-3-15-30-22-6-2-1-5-21(22)16-23(30)25(31)29-17-19-11-13-28-14-12-19/h1-2,5-14,16H,15,17H2,(H3,26,27)(H,29,31)