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

Systemtic Name: 1-[7-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenoxy-propan-1-one Openeye Name: 1-[7-[[ethyl(4-pyridylmethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenoxy-propan-1-one CAS Name: 1-[7-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenoxy-1-propanone IUPAC Name: 1-[7-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenoxypropan-1-one Traditional Name: 1-[7-[[ethyl(4-pyridylmethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenoxy-propan-1-one Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCOC4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC=NC=C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3/c1-2-29(19-22-10-13-28-14-11-22)20-23-8-9-26-24(18-23)21-30(15-17-33-26)27(31)12-16-32-25-6-4-3-5-7-25/h3-11,13-14,18H,2,12,15-17,19-21H2,1H3