4-(cyclopentylmethyl)-7-(furan-2-ylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione

Systemtic Name: 4-(cyclopentylmethyl)-7-(furan-2-ylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione Openeye Name: 4-(cyclopentylmethyl)-7-(2-furylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione CAS Name: 4-(cyclopentylmethyl)-7-(2-furanylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione IUPAC Name: 4-(cyclopentylmethyl)-7-(furan-2-ylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione Traditional Name: 4-(cyclopentylmethyl)-7-(2-furfuryl)-1,4,7,10-tetrazacyclotridecane-11,13-quinone Formula: C20H27N4O3 MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCNC(=O)CC(=O)N1)C[C]2[CH][CH][CH][CH]2)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(CCNC(=O)CC(=O)N1)C[C]2[CH][CH][CH][CH]2)CC3=CC=CO3

InChI

InChI=1S/C20H27N4O3/c25-19-14-20(26)22-8-10-24(16-18-6-3-13-27-18)12-11-23(9-7-21-19)15-17-4-1-2-5-17/h1-6,13H,7-12,14-16H2,(H,21,25)(H,22,26)