ethyl 4-[4-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)piperidin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)piperidin-1-yl]benzoate Openeye Name: ethyl 4-[4-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)-1-piperidyl]benzoate CAS Name: 4-[4-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)-1-piperidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)piperidin-1-yl]benzoate Traditional Name: 4-[4-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)piperidino]benzoic acid ethyl ester Formula: C19H28N4O2 MolecularWeight: 344.45122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCC(CC2)NC3=NCCCCN3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCC(CC2)NC3=NCCCCN3

InChI

InChI=1S/C19H28N4O2/c1-2-25-18(24)15-5-7-17(8-6-15)23-13-9-16(10-14-23)22-19-20-11-3-4-12-21-19/h5-8,16H,2-4,9-14H2,1H3,(H2,20,21,22)