5-cyclopentyl-7-phenylmethoxy-3-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-e][1,2,4]triazin-6-one

Systemtic Name: 5-cyclopentyl-7-phenylmethoxy-3-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-e][1,2,4]triazin-6-one Openeye Name: 7-benzyloxy-5-cyclopentyl-3-(4-piperazin-1-ylanilino)pyrido[2,3-e][1,2,4]triazin-6-one CAS Name: 5-cyclopentyl-7-phenylmethoxy-3-[4-(1-piperazinyl)anilino]-6-pyrido[2,3-e][1,2,4]triazinone IUPAC Name: 5-cyclopentyl-7-phenylmethoxy-3-(4-piperazin-1-ylanilino)pyrido[2,3-e][1,2,4]triazin-6-one Traditional Name: 7-benzoxy-5-cyclopentyl-3-(4-piperazinoanilino)pyrido[2,3-e][1,2,4]triazin-6-one Formula: C28H31N7O2 MolecularWeight: 497.59144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C=C(C2=O)OCC4=CC=CC=C4)N=NC(=N3)NC5=CC=C(C=C5)N6CCNCC6

Isomeric SMILES

C1CCC(C1)N2C3=C(C=C(C2=O)OCC4=CC=CC=C4)N=NC(=N3)NC5=CC=C(C=C5)N6CCNCC6

InChI

InChI=1S/C28H31N7O2/c36-27-25(37-19-20-6-2-1-3-7-20)18-24-26(35(27)23-8-4-5-9-23)31-28(33-32-24)30-21-10-12-22(13-11-21)34-16-14-29-15-17-34/h1-3,6-7,10-13,18,23,29H,4-5,8-9,14-17,19H2,(H,30,31,33)