N-(3-azanylpropyl)-N-[1-[6-chloranyl-4-oxidanylidene-3-(phenylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]propyl]-4-methyl-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[1-[6-chloranyl-4-oxidanylidene-3-(phenylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]propyl]-4-methyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(3-benzyl-6-chloro-4-oxo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)propyl]-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-N-[1-[6-chloro-4-oxo-3-(phenylmethyl)-2-pyrrolo[2,1-f][1,2,4]triazinyl]propyl]-4-methylbenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(3-benzyl-6-chloro-4-oxopyrrolo[2,1-f][1,2,4]triazin-2-yl)propyl]-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(3-benzyl-6-chloro-4-keto-pyrrolo[2,1-f][1,2,4]triazin-2-yl)propyl]-4-methyl-benzamide Formula: C27H30ClN5O2 MolecularWeight: 492.0124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN2C=C(C=C2C(=O)N1CC3=CC=CC=C3)Cl)N(CCCN)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C1=NN2C=C(C=C2C(=O)N1CC3=CC=CC=C3)Cl)N(CCCN)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H30ClN5O2/c1-3-23(31(15-7-14-29)26(34)21-12-10-19(2)11-13-21)25-30-33-18-22(28)16-24(33)27(35)32(25)17-20-8-5-4-6-9-20/h4-6,8-13,16,18,23H,3,7,14-15,17,29H2,1-2H3