4-[[4-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C24H24ClN3O2 MolecularWeight: 421.91926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCCN(CC3)CC4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCCN(CC3)CC4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C24H24ClN3O2/c1-17-11-23-21(13-22(17)25)20(12-24(29)30-23)16-28-8-2-7-27(9-10-28)15-19-5-3-18(14-26)4-6-19/h3-6,11-13H,2,7-10,15-16H2,1H3