acridin-9-yl-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone

Systemtic Name: acridin-9-yl-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone Openeye Name: acridin-9-yl-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone CAS Name: 9-acridinyl-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone IUPAC Name: acridin-9-yl-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone Traditional Name: acridin-9-yl-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone Formula: C27H23N5O MolecularWeight: 433.50442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2CN1C(=O)C3=C4C=CC=CC4=NC5=CC=CC=C53)CC6=CN=CN6

Isomeric SMILES

C1CN(C2=CC=CC=C2CN1C(=O)C3=C4C=CC=CC4=NC5=CC=CC=C53)CC6=CN=CN6

InChI

InChI=1S/C27H23N5O/c33-27(26-21-8-2-4-10-23(21)30-24-11-5-3-9-22(24)26)32-14-13-31(17-20-15-28-18-29-20)25-12-6-1-7-19(25)16-32/h1-12,15,18H,13-14,16-17H2,(H,28,29)