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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]phthalazine-1-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-3-(3-chloro-4-methoxy-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)-2-keto-ethyl]-3-(3-chloro-4-methoxy-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C29H28ClN5O4 MolecularWeight: 546.01672

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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)CC5=CC=CC=C5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C29H28ClN5O4/c1-39-25-12-11-21(17-24(25)30)35-29(38)23-10-6-5-9-22(23)27(32-35)28(37)31-18-26(36)34-15-13-33(14-16-34)19-20-7-3-2-4-8-20/h2-12,17H,13-16,18-19H2,1H3,(H,31,37)