actinium; 3-piperidin-1-id-4-yl-1-(3-thiophen-2-ylcarbonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)propan-1-one

Systemtic Name: actinium; 3-piperidin-1-id-4-yl-1-(3-thiophen-2-ylcarbonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)propan-1-one Openeye Name: actinium; 3-piperidin-1-id-4-yl-1-[3-(thiophene-2-carbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]propan-1-one CAS Name: actinium; 1-[3-[oxo(thiophen-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-3-(4-piperidin-1-idyl)-1-propanone IUPAC Name: actinium; 3-piperidin-1-id-4-yl-1-[3-(thiophene-2-carbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]propan-1-one Traditional Name: actinium; 3-piperidin-1-id-4-yl-1-[3-(2-thenoyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]propan-1-one Formula: C23H27AcN2O2S- MolecularWeight: 622.565427

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N-]CCC1CCC(=O)C2=CC3=C(CCN(CC3)C(=O)C4=CC=CS4)C=C2.[Ac]

Isomeric SMILES

C1C[N-]CCC1CCC(=O)C2=CC3=C(CCN(CC3)C(=O)C4=CC=CS4)C=C2.[Ac]

InChI

InChI=1S/C23H27N2O2S.Ac/c26-21(6-3-17-7-11-24-12-8-17)20-5-4-18-9-13-25(14-10-19(18)16-20)23(27)22-2-1-15-28-22;/h1-2,4-5,15-17H,3,6-14H2;/q-1;