tert-butyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl]indole-1-carboxylate Openeye Name: tert-butyl 5-[3-(tert-butoxycarbonylamino)-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]indole-1-carboxylate CAS Name: 5-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]indole-1-carboxylate Traditional Name: 5-[3-(tert-butoxycarbonylamino)-2-keto-1,3-dihydro-1,4-benzodiazepin-5-yl]indole-1-carboxylic acid tert-butyl ester Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC4=C(C=C3)N(C=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC4=C(C=C3)N(C=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H30N4O5/c1-26(2,3)35-24(33)30-22-23(32)28-19-10-8-7-9-18(19)21(29-22)17-11-12-20-16(15-17)13-14-31(20)25(34)36-27(4,5)6/h7-15,22H,1-6H3,(H,28,32)(H,30,33)