4-[(4-methoxy-2,3-dihydrophthalazin-1-yl)imino]-2,6-bis(pyrrolidin-1-ylmethyl)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(4-methoxy-2,3-dihydrophthalazin-1-yl)imino]-2,6-bis(pyrrolidin-1-ylmethyl)cyclohexa-2,5-dien-1-one Openeye Name: 4-[(4-methoxy-2,3-dihydrophthalazin-1-yl)imino]-2,6-bis(pyrrolidin-1-ylmethyl)cyclohexa-2,5-dien-1-one CAS Name: 4-[(4-methoxy-2,3-dihydrophthalazin-1-yl)imino]-2,6-bis(1-pyrrolidinylmethyl)-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(4-methoxy-2,3-dihydrophthalazin-1-yl)imino]-2,6-bis(pyrrolidin-1-ylmethyl)cyclohexa-2,5-dien-1-one Traditional Name: 4-[(4-methoxy-2,3-dihydrophthalazin-1-yl)imino]-2,6-bis(pyrrolidinomethyl)cyclohexa-2,5-dien-1-one Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=CC=CC2=C(NN1)N=C3C=C(C(=O)C(=C3)CN4CCCC4)CN5CCCC5

Isomeric SMILES

COC1=C2C=CC=CC2=C(NN1)N=C3C=C(C(=O)C(=C3)CN4CCCC4)CN5CCCC5

InChI

InChI=1S/C25H31N5O2/c1-32-25-22-9-3-2-8-21(22)24(27-28-25)26-20-14-18(16-29-10-4-5-11-29)23(31)19(15-20)17-30-12-6-7-13-30/h2-3,8-9,14-15,27-28H,4-7,10-13,16-17H2,1H3