1-(1H-imidazol-5-ylmethyl)-4-isoquinolin-6-ylsulfonyl-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-isoquinolin-6-ylsulfonyl-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 1-(1H-imidazol-5-ylmethyl)-4-(6-isoquinolylsulfonyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-(6-isoquinolinylsulfonyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-4-isoquinolin-6-ylsulfonyl-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 1-(1H-imidazol-5-ylmethyl)-4-(6-isoquinolylsulfonyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C30H29N5O2S MolecularWeight: 523.64856

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C3=CC4=C(C=C3)C=NC=C4)CC5=CN=CN5)CCC6=CC=CC=C6

Isomeric SMILES

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C3=CC4=C(C=C3)C=NC=C4)CC5=CN=CN5)CCC6=CC=CC=C6

InChI

InChI=1S/C30H29N5O2S/c36-38(37,29-13-11-25-17-31-15-14-24(25)16-29)34-19-26-8-4-5-9-30(26)35(20-27-18-32-22-33-27)28(21-34)12-10-23-6-2-1-3-7-23/h1-9,11,13-18,22,28H,10,12,19-21H2,(H,32,33)