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

Systemtic Name: N-[4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[4-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)C

InChI

InChI=1S/C26H23N5O2S/c1-16-13-21(17(2)31(16)14-18-9-5-4-6-10-18)22-15-34-26(27-22)28-24(32)23-19-11-7-8-12-20(19)25(33)30(3)29-23/h4-13,15H,14H2,1-3H3,(H,27,28,32)