6-[[4-(1H-benzo[f]benzimidazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]chromen-2-one

Systemtic Name: 6-[[4-(1H-benzo[f]benzimidazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]chromen-2-one Openeye Name: 6-[[4-(1H-benzo[f]benzimidazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]chromen-2-one CAS Name: 6-[[4-(1H-benzo[f]benzimidazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1-benzopyran-2-one IUPAC Name: 6-[[4-(1H-benzo[f]benzimidazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]chromen-2-one Traditional Name: 6-[[4-(1H-benzo[f]benzimidazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]coumarin Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=NC3=CC4=CC=CC=C4C=C3N2)CC5=CC6=C(C=C5)OC(=O)C=C6

Isomeric SMILES

C1CN(CCN(C1)CC2=NC3=CC4=CC=CC=C4C=C3N2)CC5=CC6=C(C=C5)OC(=O)C=C6

InChI

InChI=1S/C27H26N4O2/c32-27-9-7-22-14-19(6-8-25(22)33-27)17-30-10-3-11-31(13-12-30)18-26-28-23-15-20-4-1-2-5-21(20)16-24(23)29-26/h1-2,4-9,14-16H,3,10-13,17-18H2,(H,28,29)