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6-[(4-aminophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione
6-[(4-aminophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione
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Descriptors Computed from Structure
Canonical SMILES:
C1CNCCNC(=O)C(C(=O)NCCNC1)CC2=CC=C(C=C2)N
Isomeric SMILES
C1CNCCNC(=O)C(C(=O)NCCNC1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C17H27N5O2/c18-14-4-2-13(3-5-14)12-15-16(23)21-10-8-19-6-1-7-20-9-11-22-17(15)24/h2-5,15,19-20H,1,6-12,18H2,(H,21,23)(H,22,24)
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