tert-butyl N-[7-methyl-1-(3-methylbut-2-enyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[7-methyl-1-(3-methylbut-2-enyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[7-methyl-1-(3-methylbut-2-enyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[7-methyl-1-(3-methylbut-2-enyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[7-methyl-1-(3-methylbut-2-enyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[4-keto-7-methyl-1-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2)NC(=O)OC(C)(C)C)CC=C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2)NC(=O)OC(C)(C)C)CC=C(C)C

InChI

InChI=1S/C20H29N3O3/c1-13(2)9-10-23-12-16(22-19(25)26-20(4,5)6)18(24)21-15-11-14(3)7-8-17(15)23/h7-9,11,16H,10,12H2,1-6H3,(H,21,24)(H,22,25)