3-(3-chloranyl-4-methoxy-phenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-4-keto-N-[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]phthalazine-1-carboxamide Formula: C29H28ClN5O5 MolecularWeight: 562.01612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=C5OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=C5OC)Cl

InChI

InChI=1S/C29H28ClN5O5/c1-39-24-12-11-19(17-22(24)30)35-29(38)21-8-4-3-7-20(21)27(32-35)28(37)31-18-26(36)34-15-13-33(14-16-34)23-9-5-6-10-25(23)40-2/h3-12,17H,13-16,18H2,1-2H3,(H,31,37)