N-[3-[2H-benzotriazol-5-ylcarbamoyl(propyl)amino]propyl]-3,5-diisocyanato-N-propyl-benzamide

Systemtic Name: N-[3-[2H-benzotriazol-5-ylcarbamoyl(propyl)amino]propyl]-3,5-diisocyanato-N-propyl-benzamide Openeye Name: N-[3-[2H-benzotriazol-5-ylcarbamoyl(propyl)amino]propyl]-3,5-diisocyanato-N-propyl-benzamide CAS Name: N-[3-[[(2H-benzotriazol-5-ylamino)-oxomethyl]-propylamino]propyl]-3,5-diisocyanato-N-propylbenzamide IUPAC Name: N-[3-[2H-benzotriazol-5-ylcarbamoyl(propyl)amino]propyl]-3,5-diisocyanato-N-propylbenzamide Traditional Name: N-[3-[2H-benzotriazol-5-ylcarbamoyl(propyl)amino]propyl]-3,5-diisocyanato-N-propyl-benzamide Formula: C25H28N8O4 MolecularWeight: 504.54102

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCN(CCC)C(=O)NC1=CC2=NNN=C2C=C1)C(=O)C3=CC(=CC(=C3)N=C=O)N=C=O

Isomeric SMILES

CCCN(CCCN(CCC)C(=O)NC1=CC2=NNN=C2C=C1)C(=O)C3=CC(=CC(=C3)N=C=O)N=C=O

InChI

InChI=1S/C25H28N8O4/c1-3-8-32(24(36)18-12-20(26-16-34)14-21(13-18)27-17-35)10-5-11-33(9-4-2)25(37)28-19-6-7-22-23(15-19)30-31-29-22/h6-7,12-15H,3-5,8-11H2,1-2H3,(H,28,37)(H,29,30,31)