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

Systemtic Name: 7,8-dimethyl-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7,8-dimethyl-chromen-2-one CAS Name: 7,8-dimethyl-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7,8-dimethyl-coumarin Formula: C24H28N2O2 MolecularWeight: 376.49132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O2/c1-18-9-10-22-21(15-23(27)28-24(22)19(18)2)17-26-12-6-11-25(13-14-26)16-20-7-4-3-5-8-20/h3-5,7-10,15H,6,11-14,16-17H2,1-2H3