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

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-6-chloro-7-methyl-coumarin Formula: C23H25ClN2O2 MolecularWeight: 396.9098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O2/c1-17-12-22-20(14-21(17)24)19(13-23(27)28-22)16-26-9-5-8-25(10-11-26)15-18-6-3-2-4-7-18/h2-4,6-7,12-14H,5,8-11,15-16H2,1H3