(3S)-3-(4-azanylbutyl)-7-chloranyl-1-prop-2-enyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione

Systemtic Name: (3S)-3-(4-azanylbutyl)-7-chloranyl-1-prop-2-enyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione Openeye Name: (3S)-1-allyl-3-(4-aminobutyl)-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione CAS Name: (3S)-3-(4-aminobutyl)-7-chloro-1-prop-2-enyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione IUPAC Name: (3S)-3-(4-aminobutyl)-7-chloro-1-prop-2-enyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione Traditional Name: (3S)-1-allyl-3-(4-aminobutyl)-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-quinone Formula: C16H20ClN3O2 MolecularWeight: 321.8019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)Cl)C(=O)NC(C1=O)CCCCN

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)Cl)C(=O)N[C@H](C1=O)CCCCN

InChI

InChI=1S/C16H20ClN3O2/c1-2-9-20-14-7-6-11(17)10-12(14)15(21)19-13(16(20)22)5-3-4-8-18/h2,6-7,10,13H,1,3-5,8-9,18H2,(H,19,21)/t13-/m0/s1