N-[(4-dimethylaminophenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-3,5-dinitro-benzamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-N-[4-[(6-methoxy-8-quinolyl)amino]pentyl]-3,5-dinitro-benzamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-N-[4-[(6-methoxy-8-quinolinyl)amino]pentyl]-3,5-dinitrobenzamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(dimethylamino)benzyl]-N-[4-[(6-methoxy-8-quinolyl)amino]pentyl]-3,5-dinitro-benzamide Formula: C31H34N6O6 MolecularWeight: 586.63826

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN(CC1=CC=C(C=C1)N(C)C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC3=C4C(=CC(=C3)OC)C=CC=N4

Isomeric SMILES

CC(CCCN(CC1=CC=C(C=C1)N(C)C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC3=C4C(=CC(=C3)OC)C=CC=N4

InChI

InChI=1S/C31H34N6O6/c1-21(33-29-19-28(43-4)17-23-8-5-13-32-30(23)29)7-6-14-35(20-22-9-11-25(12-10-22)34(2)3)31(38)24-15-26(36(39)40)18-27(16-24)37(41)42/h5,8-13,15-19,21,33H,6-7,14,20H2,1-4H3