(phenylmethyl) N-[11-[2-[4-[4-[bis(2-methylpropyl)amino]butyl]phenyl]ethanoyl]-6-oxidanylidene-5H-benzo[b][1,4]benzodiazepin-10-yl]carbamate

Systemtic Name: (phenylmethyl) N-[11-[2-[4-[4-[bis(2-methylpropyl)amino]butyl]phenyl]ethanoyl]-6-oxidanylidene-5H-benzo[b][1,4]benzodiazepin-10-yl]carbamate Openeye Name: benzyl N-[11-[2-[4-[4-(diisobutylamino)butyl]phenyl]acetyl]-6-oxo-5H-benzo[b][1,4]benzodiazepin-10-yl]carbamate CAS Name: N-[11-[2-[4-[4-[bis(2-methylpropyl)amino]butyl]phenyl]-1-oxoethyl]-6-oxo-5H-benzo[b][1,4]benzodiazepin-10-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[11-[2-[4-[4-[bis(2-methylpropyl)amino]butyl]phenyl]acetyl]-6-oxo-5H-benzo[b][1,4]benzodiazepin-10-yl]carbamate Traditional Name: N-[11-[2-[4-[4-(diisobutylamino)butyl]phenyl]acetyl]-6-keto-5H-benzo[b][1,4]benzodiazepin-10-yl]carbamic acid benzyl ester Formula: C41H48N4O4 MolecularWeight: 660.84422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCCCC1=CC=C(C=C1)CC(=O)N2C3=CC=CC=C3NC(=O)C4=C2C(=CC=C4)NC(=O)OCC5=CC=CC=C5)CC(C)C

Isomeric SMILES

CC(C)CN(CCCCC1=CC=C(C=C1)CC(=O)N2C3=CC=CC=C3NC(=O)C4=C2C(=CC=C4)NC(=O)OCC5=CC=CC=C5)CC(C)C

InChI

InChI=1S/C41H48N4O4/c1-29(2)26-44(27-30(3)4)24-11-10-13-31-20-22-32(23-21-31)25-38(46)45-37-19-9-8-17-35(37)42-40(47)34-16-12-18-36(39(34)45)43-41(48)49-28-33-14-6-5-7-15-33/h5-9,12,14-23,29-30H,10-11,13,24-28H2,1-4H3,(H,42,47)(H,43,48)