N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(propan-2-ylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(propan-2-ylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(isopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo-(propan-2-ylamino)methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(propan-2-ylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(isopropylcarbamoyl)phenyl]-piperonylamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H27N3O4/c1-17(2)28-27(32)22-14-21(29-26(31)19-7-10-24-25(13-19)34-16-33-24)8-9-23(22)30-12-11-18-5-3-4-6-20(18)15-30/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,28,32)(H,29,31)