5-(1-adamantyl)-1-ethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(1-adamantyl)-1-ethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(1-adamantyl)-1-ethyl-3-isobutyl-3H-1,4-benzodiazepin-2-one CAS Name: 5-(1-adamantyl)-1-ethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(1-adamantyl)-1-ethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(1-adamantyl)-1-ethyl-3-isobutyl-3H-1,4-benzodiazepin-2-one Formula: C25H34N2O MolecularWeight: 378.55026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=NC(C1=O)CC(C)C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C2=CC=CC=C2C(=NC(C1=O)CC(C)C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N2O/c1-4-27-22-8-6-5-7-20(22)23(26-21(24(27)28)9-16(2)3)25-13-17-10-18(14-25)12-19(11-17)15-25/h5-8,16-19,21H,4,9-15H2,1-3H3