methylaminomethyl 2-[3-(methylamino)propanoylamino]-5,6-dihydrobenzo[b][1]benzazepine-11-carboxylate

Systemtic Name: methylaminomethyl 2-[3-(methylamino)propanoylamino]-5,6-dihydrobenzo[b][1]benzazepine-11-carboxylate Openeye Name: methylaminomethyl 2-[3-(methylamino)propanoylamino]-5,6-dihydrobenzo[b][1]benzazepine-11-carboxylate CAS Name: 2-[[3-(methylamino)-1-oxopropyl]amino]-5,6-dihydrobenzo[b][1]benzazepine-11-carboxylic acid methylaminomethyl ester IUPAC Name: methylaminomethyl 2-[3-(methylamino)propanoylamino]-5,6-dihydrobenzo[b][1]benzazepine-11-carboxylate Traditional Name: 2-[3-(methylamino)propanoylamino]-5,6-dihydrobenzo[b][1]benzazepine-11-carboxylic acid methylaminomethyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)OCNC)C=C1

Isomeric SMILES

CNCCC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)OCNC)C=C1

InChI

InChI=1S/C21H26N4O3/c1-22-12-11-20(26)24-17-10-9-16-8-7-15-5-3-4-6-18(15)25(19(16)13-17)21(27)28-14-23-2/h3-6,9-10,13,22-23H,7-8,11-12,14H2,1-2H3,(H,24,26)