3-[1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]propylamino]propylcarbamic acid

Systemtic Name: 3-[1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]propylamino]propylcarbamic acid Openeye Name: 3-[1-(3-benzyl-7-chloro-4-oxo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)propylamino]propylcarbamic acid CAS Name: 3-[1-[7-chloro-4-oxo-3-(phenylmethyl)-2-pyrrolo[2,1-f][1,2,4]triazinyl]propylamino]propylcarbamic acid IUPAC Name: 3-[1-(3-benzyl-7-chloro-4-oxopyrrolo[2,1-f][1,2,4]triazin-2-yl)propylamino]propylcarbamic acid Traditional Name: 3-[1-(3-benzyl-7-chloro-4-keto-pyrrolo[2,1-f][1,2,4]triazin-2-yl)propylamino]propylcarbamic acid Formula: C20H24ClN5O3 MolecularWeight: 417.88926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN2C(=CC=C2Cl)C(=O)N1CC3=CC=CC=C3)NCCCNC(=O)O

Isomeric SMILES

CCC(C1=NN2C(=CC=C2Cl)C(=O)N1CC3=CC=CC=C3)NCCCNC(=O)O

InChI

InChI=1S/C20H24ClN5O3/c1-2-15(22-11-6-12-23-20(28)29)18-24-26-16(9-10-17(26)21)19(27)25(18)13-14-7-4-3-5-8-14/h3-5,7-10,15,22-23H,2,6,11-13H2,1H3,(H,28,29)