N-[2-[3-(azepan-1-yl)propylamino]-2-oxidanylidene-ethyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-[3-(azepan-1-yl)propylamino]-2-oxidanylidene-ethyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-[3-(azepan-1-yl)propylamino]-2-oxo-ethyl]-3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[3-(1-azepanyl)propylamino]-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-[3-(azepan-1-yl)propylamino]-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-[3-(azepan-1-yl)propylamino]-2-keto-ethyl]-4-keto-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O4/c1-36-21-13-11-20(12-14-21)32-27(35)23-10-5-4-9-22(23)25(30-32)26(34)29-19-24(33)28-15-8-18-31-16-6-2-3-7-17-31/h4-5,9-14H,2-3,6-8,15-19H2,1H3,(H,28,33)(H,29,34)