4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-ynyl-phthalazine-1-carboxamide

Systemtic Name: 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-ynyl-phthalazine-1-carboxamide Openeye Name: 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-ynyl-phthalazine-1-carboxamide CAS Name: 4-[4-(3-methoxyphenyl)-1-piperazinyl]-N-prop-2-ynyl-1-phthalazinecarboxamide IUPAC Name: 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-ynylphthalazine-1-carboxamide Traditional Name: 4-[4-(3-methoxyphenyl)piperazino]-N-propargyl-phthalazine-1-carboxamide Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC#C

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC#C

InChI

InChI=1S/C23H23N5O2/c1-3-11-24-23(29)21-19-9-4-5-10-20(19)22(26-25-21)28-14-12-27(13-15-28)17-7-6-8-18(16-17)30-2/h1,4-10,16H,11-15H2,2H3,(H,24,29)