2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-(4-phenylpiperazino)propan-1-one Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H27N3O3/c1-17(23-18-8-9-20-21(16-18)28-15-5-14-27-20)22(26)25-12-10-24(11-13-25)19-6-3-2-4-7-19/h2-4,6-9,16-17,23H,5,10-15H2,1H3