6-(azepan-1-ylmethylideneamino)-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-(azepan-1-ylmethylideneamino)-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-(azepan-1-ylmethyleneamino)-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-(1-azepanylmethylideneamino)-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-(azepan-1-ylmethylideneamino)-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-(azepan-1-ylmethyleneamino)-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(C(=C(O2)N=CN3CCCCCC3)C#N)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(C(=C(O2)N=CN3CCCCCC3)C#N)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5

InChI

InChI=1S/C29H31N5O3/c1-20-26-27(21-13-14-24(35-2)25(17-21)36-3)23(18-30)28(31-19-33-15-9-4-5-10-16-33)37-29(26)34(32-20)22-11-7-6-8-12-22/h6-8,11-14,17,19,27H,4-5,9-10,15-16H2,1-3H3