3-chloranyl-1'-prop-2-ynyl-spiro[benzo[b][1]benzoxepine-6,4'-piperidine]-5-one

Systemtic Name: 3-chloranyl-1'-prop-2-ynyl-spiro[benzo[b][1]benzoxepine-6,4'-piperidine]-5-one Openeye Name: 3-chloro-1'-prop-2-ynyl-spiro[benzo[b][1]benzoxepine-6,4'-piperidine]-5-one CAS Name: 3-chloro-1'-prop-2-ynyl-5-spiro[benzo[b][1]benzoxepin-6,4'-piperidine]one IUPAC Name: 3-chloro-1'-prop-2-ynylspiro[benzo[b][1]benzoxepine-6,4'-piperidine]-5-one Traditional Name: 3-chloro-1'-propargyl-spiro[benzo[b][1]benzoxepin-6,4'-piperidine]-5-one Formula: C21H18ClNO2 MolecularWeight: 351.82612

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCC2(CC1)C3=CC=CC=C3OC4=C(C2=O)C=C(C=C4)Cl

Isomeric SMILES

C#CCN1CCC2(CC1)C3=CC=CC=C3OC4=C(C2=O)C=C(C=C4)Cl

InChI

InChI=1S/C21H18ClNO2/c1-2-11-23-12-9-21(10-13-23)17-5-3-4-6-19(17)25-18-8-7-15(22)14-16(18)20(21)24/h1,3-8,14H,9-13H2