(E)-3-[3-carbamimidoyl-1-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]indol-7-yl]-N-pyridin-3-yl-prop-2-enamide

Systemtic Name: (E)-3-[3-carbamimidoyl-1-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]indol-7-yl]-N-pyridin-3-yl-prop-2-enamide Openeye Name: (E)-3-[3-carbamimidoyl-1-[2-oxo-2-(3-pyridylamino)ethyl]indol-7-yl]-N-(3-pyridyl)prop-2-enamide CAS Name: (E)-3-[3-carbamimidoyl-1-[2-oxo-2-(3-pyridinylamino)ethyl]-7-indolyl]-N-(3-pyridinyl)-2-propenamide IUPAC Name: (E)-3-[3-carbamimidoyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]indol-7-yl]-N-pyridin-3-ylprop-2-enamide Traditional Name: (E)-3-[3-amidino-1-[2-keto-2-(3-pyridylamino)ethyl]indol-7-yl]-N-(3-pyridyl)acrylamide Formula: C24H21N7O2 MolecularWeight: 439.46924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C=CC(=O)NC3=CN=CC=C3)N(C=C2C(=N)N)CC(=O)NC4=CN=CC=C4

Isomeric SMILES

C1=CC2=C(C(=C1)/C=C/C(=O)NC3=CN=CC=C3)N(C=C2C(=N)N)CC(=O)NC4=CN=CC=C4

InChI

InChI=1S/C24H21N7O2/c25-24(26)20-14-31(15-22(33)30-18-6-3-11-28-13-18)23-16(4-1-7-19(20)23)8-9-21(32)29-17-5-2-10-27-12-17/h1-14H,15H2,(H3,25,26)(H,29,32)(H,30,33)/b9-8+