N-[3-(azepan-1-yl)propyl]-3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-3-(3,5-dimethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-3-(3,5-dimethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-3-(3,5-dimethoxyphenyl)-4-keto-phthalazine-1-carboxamide Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCCN4CCCCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCCN4CCCCCC4)OC

InChI

InChI=1S/C26H32N4O4/c1-33-20-16-19(17-21(18-20)34-2)30-26(32)23-11-6-5-10-22(23)24(28-30)25(31)27-12-9-15-29-13-7-3-4-8-14-29/h5-6,10-11,16-18H,3-4,7-9,12-15H2,1-2H3,(H,27,31)