N-[(9-chloranyl-7-phenyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-2-yl)methyl]-N-ethyl-ethanamine

Systemtic Name: N-[(9-chloranyl-7-phenyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-2-yl)methyl]-N-ethyl-ethanamine Openeye Name: N-[(9-chloro-7-phenyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-2-yl)methyl]-N-ethyl-ethanamine CAS Name: N-[(9-chloro-7-phenyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-2-yl)methyl]-N-ethylethanamine IUPAC Name: N-[(9-chloro-7-phenyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-2-yl)methyl]-N-ethylethanamine Traditional Name: (9-chloro-7-phenyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-2-yl)methyl-diethyl-amine Formula: C22H24ClN5 MolecularWeight: 393.91246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NN=C2CN=C(C3=C(N2C1)C=CC(=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)CC1=NN=C2CN=C(C3=C(N2C1)C=CC(=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H24ClN5/c1-3-27(4-2)14-18-15-28-20-11-10-17(23)12-19(20)22(16-8-6-5-7-9-16)24-13-21(28)26-25-18/h5-12H,3-4,13-15H2,1-2H3