4-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-methyl-piperidin-4-ol

Systemtic Name: 4-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-methyl-piperidin-4-ol Openeye Name: 4-[4-[(E)-3-(4-methoxyphenyl)allyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-methyl-piperidin-4-ol CAS Name: 4-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-methyl-4-piperidinol IUPAC Name: 4-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-methylpiperidin-4-ol Traditional Name: 4-[4-[(E)-3-(4-methoxyphenyl)allyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-methyl-piperidin-4-ol Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C2=CC3=C(C=C2)OCCN(C3)CC=CC4=CC=C(C=C4)OC)O

Isomeric SMILES

CN1CCC(CC1)(C2=CC3=C(C=C2)OCCN(C3)C/C=C/C4=CC=C(C=C4)OC)O

InChI

InChI=1S/C25H32N2O3/c1-26-14-11-25(28,12-15-26)22-7-10-24-21(18-22)19-27(16-17-30-24)13-3-4-20-5-8-23(29-2)9-6-20/h3-10,18,28H,11-17,19H2,1-2H3/b4-3+