N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

Systemtic Name: N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Openeye Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide CAS Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-2-[4-(1-pyrazolylmethyl)phenyl]benzamide IUPAC Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Traditional Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)CN5C=CC=N5)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)CN5C=CC=N5)CC2OC(=C1)O

InChI

InChI=1S/C27H25N3O3/c1-18-15-26(31)33-25-16-21(11-12-22(18)25)29-27(32)24-6-3-2-5-23(24)20-9-7-19(8-10-20)17-30-14-4-13-28-30/h2-10,13-15,25,31H,11-12,16-17H2,1H3