6-azanyl-4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-[3-(1-azepanylmethyl)-2,5-dimethylphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-[3-(azepan-1-ylmethyl)-2,5-dimethylphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(OC3=NNC(=C23)C)N)C#N)C)CN4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(OC3=NNC(=C23)C)N)C#N)C)CN4CCCCCC4

InChI

InChI=1S/C23H29N5O/c1-14-10-17(13-28-8-6-4-5-7-9-28)15(2)18(11-14)21-19(12-24)22(25)29-23-20(21)16(3)26-27-23/h10-11,21H,4-9,13,25H2,1-3H3,(H,26,27)