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

Systemtic Name: (1S)-1-[2-[4-(6-cyanonaphthalen-1-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide Openeye Name: (1S)-1-[2-[4-(6-cyano-1-naphthyl)piperazin-1-yl]ethyl]isochromane-6-carboxamide CAS Name: (1S)-1-[2-[4-(6-cyano-1-naphthalenyl)-1-piperazinyl]ethyl]-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (1S)-1-[2-[4-(6-cyanonaphthalen-1-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide Traditional Name: (1S)-1-[2-[4-(6-cyano-1-naphthyl)piperazino]ethyl]isochroman-6-carboxamide Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C=C(C=C2)C(=O)N)CCN3CCN(CC3)C4=CC=CC5=C4C=CC(=C5)C#N

Isomeric SMILES

C1CO[C@H](C2=C1C=C(C=C2)C(=O)N)CCN3CCN(CC3)C4=CC=CC5=C4C=CC(=C5)C#N

InChI

InChI=1S/C27H28N4O2/c28-18-19-4-6-23-20(16-19)2-1-3-25(23)31-13-11-30(12-14-31)10-8-26-24-7-5-22(27(29)32)17-21(24)9-15-33-26/h1-7,16-17,26H,8-15H2,(H2,29,32)/t26-/m0/s1