ethyl 4-(phenylmethyl)piperidine-1-carboxylate; 1H-purino[8,9-c][1,2]diazirine

Systemtic Name: ethyl 4-(phenylmethyl)piperidine-1-carboxylate; 1H-purino[8,9-c][1,2]diazirine Openeye Name: ethyl 4-benzylpiperidine-1-carboxylate; 1H-purino[8,9-c]diazirine CAS Name: 4-(phenylmethyl)-1-piperidinecarboxylic acid ethyl ester; 1H-purino[8,9-c]diazirine IUPAC Name: ethyl 4-benzylpiperidine-1-carboxylate; 1H-purino[8,9-c]diazirine Traditional Name: 4-benzylpiperidine-1-carboxylic acid ethyl ester; 1H-purino[8,9-c]diazirine Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)CC2=CC=CC=C2.C1=C2C(=NC=N1)N3C(=N2)N3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)CC2=CC=CC=C2.C1=C2C(=NC=N1)N3C(=N2)N3

InChI

InChI=1S/C15H21NO2.C5H3N5/c1-2-18-15(17)16-10-8-14(9-11-16)12-13-6-4-3-5-7-13;1-3-4(7-2-6-1)10-5(8-3)9-10/h3-7,14H,2,8-12H2,1H3;1-2H,(H,8,9)