N-(2,3-dimethoxy-6-nitro-acridin-9-yl)-N',N'-diethyl-2-phenyl-butane-1,4-diamine hydrochloride

Systemtic Name: N-(2,3-dimethoxy-6-nitro-acridin-9-yl)-N',N'-diethyl-2-phenyl-butane-1,4-diamine hydrochloride Openeye Name: N-(2,3-dimethoxy-6-nitro-acridin-9-yl)-N',N'-diethyl-2-phenyl-butane-1,4-diamine hydrochloride CAS Name: N-(2,3-dimethoxy-6-nitro-9-acridinyl)-N',N'-diethyl-2-phenylbutane-1,4-diamine hydrochloride IUPAC Name: N-(2,3-dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine hydrochloride Traditional Name: [4-[(2,3-dimethoxy-6-nitro-acridin-9-yl)amino]-3-phenyl-butyl]-diethyl-amine hydrochloride Formula: C29H35ClN4O4 MolecularWeight: 539.0656

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])C4=CC=CC=C4.Cl

Isomeric SMILES

CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])C4=CC=CC=C4.Cl

InChI

InChI=1S/C29H34N4O4.ClH/c1-5-32(6-2)15-14-21(20-10-8-7-9-11-20)19-30-29-23-13-12-22(33(34)35)16-25(23)31-26-18-28(37-4)27(36-3)17-24(26)29;/h7-13,16-18,21H,5-6,14-15,19H2,1-4H3,(H,30,31);1H