N-[[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]phthalazine-1-carboxamide Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O3/c1-18-15-21(19(2)30(18)13-14-34-3)16-27-28-25(32)24-22-11-7-8-12-23(22)26(33)31(29-24)17-20-9-5-4-6-10-20/h4-12,15-16H,13-14,17H2,1-3H3,(H,28,32)