O3-methyl O5-prop-2-enyl 3-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-pyridazin-3-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-prop-2-enyl 3-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-pyridazin-3-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: O5-allyl O3-methyl 3-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-pyridazin-3-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate CAS Name: 3-[4-(1-imidazolylmethyl)phenyl]-2,6-dimethyl-4-(3-pyridazinyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O3-methyl ester O5-prop-2-enyl ester IUPAC Name: 3-O-methyl 5-O-prop-2-enyl 3-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-pyridazin-3-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Traditional Name: 3-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-pyridazin-3-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O5-allyl ester O3-methyl ester Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=C(N1)C)C(=O)OCC=C)C2=NN=CC=C2)(C3=CC=C(C=C3)CN4C=CN=C4)C(=O)OC

Isomeric SMILES

CC1C(C(C(=C(N1)C)C(=O)OCC=C)C2=NN=CC=C2)(C3=CC=C(C=C3)CN4C=CN=C4)C(=O)OC

InChI

InChI=1S/C27H29N5O4/c1-5-15-36-25(33)23-18(2)30-19(3)27(26(34)35-4,24(23)22-7-6-12-29-31-22)21-10-8-20(9-11-21)16-32-14-13-28-17-32/h5-14,17,19,24,30H,1,15-16H2,2-4H3