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

Systemtic Name: 3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]chromen-2-one Openeye Name: 3-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]chromen-2-one CAS Name: 3-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]coumarin Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3OC2=O)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3OC2=O)CC4=CC=CS4

InChI

InChI=1S/C20H20N2O3S/c23-19(17-13-15-5-1-2-7-18(15)25-20(17)24)22-9-4-8-21(10-11-22)14-16-6-3-12-26-16/h1-3,5-7,12-13H,4,8-11,14H2