4-[[4-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCCN(CC3)CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCCN(CC3)CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C25H27N3O2/c1-18-4-9-23-22(14-24(29)30-25(23)19(18)2)17-28-11-3-10-27(12-13-28)16-21-7-5-20(15-26)6-8-21/h4-9,14H,3,10-13,16-17H2,1-2H3