[2-[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]-5-isocyano-phenyl] N-methylcarbamate

Systemtic Name: [2-[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]-5-isocyano-phenyl] N-methylcarbamate Openeye Name: [2-[3-[3-(dimethylamino)propylamino]-3-oxo-propyl]-5-isocyano-phenyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [2-[3-[3-(dimethylamino)propylamino]-3-oxopropyl]-5-isocyanophenyl] ester IUPAC Name: [2-[3-[3-(dimethylamino)propylamino]-3-oxopropyl]-5-isocyanophenyl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [2-[3-[3-(dimethylamino)propylamino]-3-keto-propyl]-5-isocyano-phenyl] ester Formula: C17H24N4O3 MolecularWeight: 332.39746

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC1=C(C=CC(=C1)[N+]#[C-])CCC(=O)NCCCN(C)C

Isomeric SMILES

CNC(=O)OC1=C(C=CC(=C1)[N+]#[C-])CCC(=O)NCCCN(C)C

InChI

InChI=1S/C17H24N4O3/c1-18-14-8-6-13(15(12-14)24-17(23)19-2)7-9-16(22)20-10-5-11-21(3)4/h6,8,12H,5,7,9-11H2,2-4H3,(H,19,23)(H,20,22)