N-(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-1-(2-thenoyl)isonipecotamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=C(C=C3)NC(=O)C4CCN(CC4)C(=O)C5=CC=CS5)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=C(C=C3)NC(=O)C4CCN(CC4)C(=O)C5=CC=CS5)C(=O)N2C1

InChI

InChI=1S/C22H22N4O3S/c27-20(14-7-10-25(11-8-14)22(29)18-3-2-12-30-18)23-15-5-6-17-16(13-15)21(28)26-9-1-4-19(26)24-17/h2-3,5-6,12-14H,1,4,7-11H2,(H,23,27)