4-(5-nitro-2H-isoindol-1-yl)-N-(phenylmethyl)butan-1-amine

Systemtic Name: 4-(5-nitro-2H-isoindol-1-yl)-N-(phenylmethyl)butan-1-amine Openeye Name: N-benzyl-4-(5-nitro-2H-isoindol-1-yl)butan-1-amine CAS Name: 4-(5-nitro-2H-isoindol-1-yl)-N-(phenylmethyl)-1-butanamine IUPAC Name: N-benzyl-4-(5-nitro-2H-isoindol-1-yl)butan-1-amine Traditional Name: benzyl-[4-(5-nitro-2H-isoindol-1-yl)butyl]amine Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCC2=C3C=CC(=CC3=CN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNCCCCC2=C3C=CC(=CC3=CN2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O2/c23-22(24)17-9-10-18-16(12-17)14-21-19(18)8-4-5-11-20-13-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,14,20-21H,4-5,8,11,13H2