pyridin-3-ylmethyl N-[2-(aminomethyl)-3-(3-pyridin-3-ylpropyl)phenyl]carbonylcarbamate

Systemtic Name: pyridin-3-ylmethyl N-[2-(aminomethyl)-3-(3-pyridin-3-ylpropyl)phenyl]carbonylcarbamate Openeye Name: 3-pyridylmethyl N-[2-(aminomethyl)-3-[3-(3-pyridyl)propyl]benzoyl]carbamate CAS Name: N-[[2-(aminomethyl)-3-[3-(3-pyridinyl)propyl]phenyl]-oxomethyl]carbamic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl N-[2-(aminomethyl)-3-(3-pyridin-3-ylpropyl)benzoyl]carbamate Traditional Name: N-[2-(aminomethyl)-3-[3-(3-pyridyl)propyl]benzoyl]carbamic acid 3-pyridylmethyl ester Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CCCC2=CN=CC=C2)CN)C(=O)NC(=O)OCC3=CN=CC=C3

Isomeric SMILES

C1=CC(=C(C(=C1)CCCC2=CN=CC=C2)CN)C(=O)NC(=O)OCC3=CN=CC=C3

InChI

InChI=1S/C23H24N4O3/c24-13-21-19(8-1-5-17-6-3-11-25-14-17)9-2-10-20(21)22(28)27-23(29)30-16-18-7-4-12-26-15-18/h2-4,6-7,9-12,14-15H,1,5,8,13,16,24H2,(H,27,28,29)