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

Systemtic Name: N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[(cyclopropylamino)-oxomethyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-piperonylamide Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCC6=CC=CC=C6C5

Isomeric SMILES

C1CC1NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C27H25N3O4/c31-26(18-5-10-24-25(13-18)34-16-33-24)29-21-8-9-23(22(14-21)27(32)28-20-6-7-20)30-12-11-17-3-1-2-4-19(17)15-30/h1-5,8-10,13-14,20H,6-7,11-12,15-16H2,(H,28,32)(H,29,31)