1-[7-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[7-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenyl-propan-1-one Openeye Name: 1-[7-[[ethyl(4-pyridylmethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenyl-propan-1-one CAS Name: 1-[7-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenyl-1-propanone IUPAC Name: 1-[7-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenylpropan-1-one Traditional Name: 1-[7-[[ethyl(4-pyridylmethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenyl-propan-1-one Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC=NC=C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-2-29(19-23-12-14-28-15-13-23)20-24-8-10-26-25(18-24)21-30(16-17-32-26)27(31)11-9-22-6-4-3-5-7-22/h3-8,10,12-15,18H,2,9,11,16-17,19-21H2,1H3