4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-1,4-diazepan-1-yl]benzamide

Systemtic Name: 4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-1,4-diazepan-1-yl]benzamide Openeye Name: 4-[4-(2-isochroman-1-ylethyl)-1,4-diazepan-1-yl]benzamide CAS Name: 4-[4-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: 4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-1,4-diazepan-1-yl]benzamide Traditional Name: 4-[4-(2-isochroman-1-ylethyl)-1,4-diazepan-1-yl]benzamide Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CC=C(C=C2)C(=O)N)CCC3C4=CC=CC=C4CCO3

Isomeric SMILES

C1CN(CCN(C1)C2=CC=C(C=C2)C(=O)N)CCC3C4=CC=CC=C4CCO3

InChI

InChI=1S/C23H29N3O2/c24-23(27)19-6-8-20(9-7-19)26-13-3-12-25(15-16-26)14-10-22-21-5-2-1-4-18(21)11-17-28-22/h1-2,4-9,22H,3,10-17H2,(H2,24,27)