2-[(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide

Systemtic Name: 2-[(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Openeye Name: 2-[(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide CAS Name: 2-[(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide IUPAC Name: 2-[(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Traditional Name: 2-[(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3C(=O)NCCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3C(=O)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c31-27(28-16-7-6-10-21-8-2-1-3-9-21)26-12-5-4-11-23(26)19-29-17-15-22-13-14-25(30(32)33)18-24(22)20-29/h1-5,8-9,11-14,18H,6-7,10,15-17,19-20H2,(H,28,31)