1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide

Systemtic Name: 1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide Openeye Name: 1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]isochromane-6-carboxamide CAS Name: 1-[2-[4-(3,4-dichlorophenyl)-1-piperazinyl]ethyl]-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: 1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide Traditional Name: 1-[2-[4-(3,4-dichlorophenyl)piperazino]ethyl]isochroman-6-carboxamide Formula: C22H25Cl2N3O2 MolecularWeight: 434.3588

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C=C(C=C2)C(=O)N)CCN3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1COC(C2=C1C=C(C=C2)C(=O)N)CCN3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H25Cl2N3O2/c23-19-4-2-17(14-20(19)24)27-10-8-26(9-11-27)7-5-21-18-3-1-16(22(25)28)13-15(18)6-12-29-21/h1-4,13-14,21H,5-12H2,(H2,25,28)