3-(6-azanylhexylamino)-7-bromanyl-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 3-(6-azanylhexylamino)-7-bromanyl-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 3-(6-aminohexylamino)-7-bromo-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 3-(6-aminohexylamino)-7-bromo-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 3-(6-aminohexylamino)-7-bromo-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 3-(6-aminohexylamino)-7-bromo-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C21H24BrClN4O MolecularWeight: 463.79846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)NCCCCCCN)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)NCCCCCCN)Cl

InChI

InChI=1S/C21H24BrClN4O/c22-14-9-10-18-16(13-14)19(15-7-3-4-8-17(15)23)27-20(21(28)26-18)25-12-6-2-1-5-11-24/h3-4,7-10,13,20,25H,1-2,5-6,11-12,24H2,(H,26,28)