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

Systemtic Name: 2-azanyl-4-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[5-(1-azepanylmethyl)-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[5-(azepan-1-ylmethyl)-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)CN4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)CN4CCCCCC4)C

InChI

InChI=1S/C27H35N3O2/c1-17-11-18(2)20(12-19(17)16-30-9-7-5-6-8-10-30)24-21(15-28)26(29)32-23-14-27(3,4)13-22(31)25(23)24/h11-12,24H,5-10,13-14,16,29H2,1-4H3