6-chloranyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[4-[ethyl(isopropyl)amino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[4-[ethyl(isopropyl)amino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)C(C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)C(C)C

InChI

InChI=1S/C21H25ClN2O3/c1-4-24(14(2)3)17-8-6-16(7-9-17)23-21(25)15-12-18(22)20-19(13-15)26-10-5-11-27-20/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,23,25)