2-azanyl-4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[3-(1-azepanylmethyl)-2,5-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-(azepan-1-ylmethyl)-2,5-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)C)CN4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)C)CN4CCCCCC4

InChI

InChI=1S/C25H31N3O2/c1-16-12-18(15-28-10-5-3-4-6-11-28)17(2)19(13-16)23-20(14-26)25(27)30-22-9-7-8-21(29)24(22)23/h12-13,23H,3-11,15,27H2,1-2H3