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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-3-(3-chloro-4-methoxy-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-3-(3-chloro-4-methoxy-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C24H25ClN4O4 MolecularWeight: 468.9327

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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)N4CCCCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C24H25ClN4O4/c1-33-20-11-10-16(14-19(20)25)29-24(32)18-9-5-4-8-17(18)22(27-29)23(31)26-15-21(30)28-12-6-2-3-7-13-28/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,26,31)