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

Systemtic Name: N-[2-[3-(azepan-1-yl)propylamino]-2-oxidanylidene-ethyl]-3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-[3-(azepan-1-yl)propylamino]-2-oxo-ethyl]-3-(3-chloro-4-methoxy-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[3-(1-azepanyl)propylamino]-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-[3-(azepan-1-yl)propylamino]-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-[3-(azepan-1-yl)propylamino]-2-keto-ethyl]-3-(3-chloro-4-methoxy-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C27H32ClN5O4 MolecularWeight: 526.02708

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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)NCCCN4CCCCCC4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H32ClN5O4/c1-37-23-12-11-19(17-22(23)28)33-27(36)21-10-5-4-9-20(21)25(31-33)26(35)30-18-24(34)29-13-8-16-32-14-6-2-3-7-15-32/h4-5,9-12,17H,2-3,6-8,13-16,18H2,1H3,(H,29,34)(H,30,35)