N-[(E)-[3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-[3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-[3-ethoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]methyleneamino]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-[3-ethoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]methylideneamino]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-[3-ethoxy-4-(2-keto-2-piperidino-ethoxy)benzylidene]amino]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OCC(=O)N4CCCCC4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OCC(=O)N4CCCCC4

InChI

InChI=1S/C26H29N5O5/c1-3-35-22-15-18(11-12-21(22)36-17-23(32)31-13-7-4-8-14-31)16-27-28-25(33)24-19-9-5-6-10-20(19)26(34)30(2)29-24/h5-6,9-12,15-16H,3-4,7-8,13-14,17H2,1-2H3,(H,28,33)/b27-16+