6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one Openeye Name: 6-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one CAS Name: 6-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one Traditional Name: 6-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)N4CCCSC5=CC=CC=C54)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)N4CCCSC5=CC=CC=C54)C(=O)N2C1

InChI

InChI=1S/C21H19N3O2S/c25-20(23-11-4-12-27-18-6-2-1-5-17(18)23)14-8-9-15-16(13-14)22-19-7-3-10-24(19)21(15)26/h1-2,5-6,8-9,13H,3-4,7,10-12H2