3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]chromen-2-one

Systemtic Name: 3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]chromen-2-one Openeye Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)chromen-2-one CAS Name: 3-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)chromen-2-one Traditional Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)coumarin Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3OC2=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3OC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3/c25-21(19-15-18-9-4-5-10-20(18)27-22(19)26)24-12-6-11-23(13-14-24)16-17-7-2-1-3-8-17/h1-5,7-10,15H,6,11-14,16H2