3-azanyl-5-cyclohexyl-1-(1H-imidazol-5-ylmethyl)-9-methyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-5-cyclohexyl-1-(1H-imidazol-5-ylmethyl)-9-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-5-cyclohexyl-1-(1H-imidazol-5-ylmethyl)-9-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-5-cyclohexyl-1-(1H-imidazol-5-ylmethyl)-9-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-5-cyclohexyl-1-(1H-imidazol-5-ylmethyl)-9-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-5-cyclohexyl-1-(1H-imidazol-5-ylmethyl)-9-methyl-3H-1,4-benzodiazepin-2-one Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)N)CC4=CN=CN4

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)N)CC4=CN=CN4

InChI

InChI=1S/C20H25N5O/c1-13-6-5-9-16-17(14-7-3-2-4-8-14)24-19(21)20(26)25(18(13)16)11-15-10-22-12-23-15/h5-6,9-10,12,14,19H,2-4,7-8,11,21H2,1H3,(H,22,23)