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

Systemtic Name: N-(3-azanylpropyl)-4-chloranyl-N-[1-[4-oxidanylidene-3-(phenylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]propyl]benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)propyl]-4-chloro-benzamide CAS Name: N-(3-aminopropyl)-4-chloro-N-[1-[4-oxo-3-(phenylmethyl)-2-pyrrolo[2,1-f][1,2,4]triazinyl]propyl]benzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrrolo[2,1-f][1,2,4]triazin-2-yl)propyl]-4-chlorobenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(3-benzyl-4-keto-pyrrolo[2,1-f][1,2,4]triazin-2-yl)propyl]-4-chloro-benzamide Formula: C26H28ClN5O2 MolecularWeight: 477.98582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClN5O2/c1-2-22(30(16-7-15-28)25(33)20-11-13-21(27)14-12-20)24-29-32-17-6-10-23(32)26(34)31(24)18-19-8-4-3-5-9-19/h3-6,8-14,17,22H,2,7,15-16,18,28H2,1H3