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

Systemtic Name: (E)-3-[3-carbamimidoyl-1-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]indol-7-yl]prop-2-enamide Openeye Name: (E)-3-[3-carbamimidoyl-1-[2-oxo-2-(3-pyridylamino)ethyl]indol-7-yl]prop-2-enamide CAS Name: (E)-3-[3-carbamimidoyl-1-[2-oxo-2-(3-pyridinylamino)ethyl]-7-indolyl]-2-propenamide IUPAC Name: (E)-3-[3-carbamimidoyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]indol-7-yl]prop-2-enamide Traditional Name: (E)-3-[3-amidino-1-[2-keto-2-(3-pyridylamino)ethyl]indol-7-yl]acrylamide Formula: C19H18N6O2 MolecularWeight: 362.38522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O2/c20-16(26)7-6-12-3-1-5-14-15(19(21)22)10-25(18(12)14)11-17(27)24-13-4-2-8-23-9-13/h1-10H,11H2,(H2,20,26)(H3,21,22)(H,24,27)/b7-6+