2-[4-(aminomethyl)phenyl]-N-[(3S)-7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl]ethanamide

Systemtic Name: 2-[4-(aminomethyl)phenyl]-N-[(3S)-7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl]ethanamide Openeye Name: N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]-2-[4-(aminomethyl)phenyl]acetamide CAS Name: N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-2-[4-(aminomethyl)phenyl]acetamide IUPAC Name: N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-2-[4-(aminomethyl)phenyl]acetamide Traditional Name: N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]-2-[4-(aminomethyl)phenyl]acetamide Formula: C16H24ClN3O2 MolecularWeight: 325.83366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NC(CCCCN)C(=O)CCl)CN

Isomeric SMILES

C1=CC(=CC=C1CC(=O)N[C@@H](CCCCN)C(=O)CCl)CN

InChI

InChI=1S/C16H24ClN3O2/c17-10-15(21)14(3-1-2-8-18)20-16(22)9-12-4-6-13(11-19)7-5-12/h4-7,14H,1-3,8-11,18-19H2,(H,20,22)/t14-/m0/s1