6-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile

Systemtic Name: 6-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile Openeye Name: 6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile CAS Name: 6-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile IUPAC Name: 6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile Traditional Name: 6-[4-(2-thenoyl)-1,4-diazepan-1-yl]-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=NC4=CC5=C(C=C4C=C3C#N)OCO5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=NC4=CC5=C(C=C4C=C3C#N)OCO5

InChI

InChI=1S/C21H18N4O3S/c22-12-15-9-14-10-17-18(28-13-27-17)11-16(14)23-20(15)24-4-2-5-25(7-6-24)21(26)19-3-1-8-29-19/h1,3,8-11H,2,4-7,13H2