piperidin-1-yl-[4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]phenyl]methanone

Systemtic Name: piperidin-1-yl-[4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]phenyl]methanone Openeye Name: 1-piperidyl-[4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]phenyl]methanone CAS Name: 1-piperidinyl-[4-[[4-(4-prop-2-ynoxyphenyl)-1-phthalazinyl]amino]phenyl]methanone IUPAC Name: piperidin-1-yl-[4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]phenyl]methanone Traditional Name: piperidino-[4-[[4-(4-propargyloxyphenyl)phthalazin-1-yl]amino]phenyl]methanone Formula: C29H26N4O2 MolecularWeight: 462.54234

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N5CCCCC5

Isomeric SMILES

C#CCOC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N5CCCCC5

InChI

InChI=1S/C29H26N4O2/c1-2-20-35-24-16-12-21(13-17-24)27-25-8-4-5-9-26(25)28(32-31-27)30-23-14-10-22(11-15-23)29(34)33-18-6-3-7-19-33/h1,4-5,8-17H,3,6-7,18-20H2,(H,30,32)