4-azanyl-1-(phenylmethyl)-1,3,5-triazacyclotridec-4-en-2-one

Systemtic Name: 4-azanyl-1-(phenylmethyl)-1,3,5-triazacyclotridec-4-en-2-one Openeye Name: 4-amino-1-benzyl-1,3,5-triazacyclotridec-4-en-2-one CAS Name: 4-amino-1-(phenylmethyl)-1,3,5-triazacyclotridec-4-en-2-one IUPAC Name: 4-amino-1-benzyl-1,3,5-triazacyclotridec-4-en-2-one Traditional Name: 4-amino-1-benzyl-1,3,5-triazacyclotridec-4-en-2-one Formula: C17H26N4O MolecularWeight: 302.41454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCN(C(=O)NC(=NCCC1)N)CC2=CC=CC=C2

Isomeric SMILES

C1CCCCN(C(=O)NC(=NCCC1)N)CC2=CC=CC=C2

InChI

InChI=1S/C17H26N4O/c18-16-19-12-8-3-1-2-4-9-13-21(17(22)20-16)14-15-10-6-5-7-11-15/h5-7,10-11H,1-4,8-9,12-14H2,(H3,18,19,20,22)