N-[3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-[2-(3-ethoxyphenyl)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-[2-(3-ethoxyphenyl)-4-thiazolyl]-2,5-dimethyl-1-pyrrolyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2,5-dimethyl-3-(2-m-phenetylthiazol-4-yl)pyrrol-1-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC(=CS2)C3=C(N(C(=C3)C)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC(=CS2)C3=C(N(C(=C3)C)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)C)C

InChI

InChI=1S/C27H25N5O3S/c1-5-35-19-10-8-9-18(14-19)26-28-23(15-36-26)22-13-16(2)32(17(22)3)30-25(33)24-20-11-6-7-12-21(20)27(34)31(4)29-24/h6-15H,5H2,1-4H3,(H,30,33)